PubChemLite - Butanamide, n,n'-(1,1'-biphenyl)-4,4'-diylbis(2,2,3,3,4,4,4-heptafluoro- (C20H10F14N2O2)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20H10F14N2O2/c21-15(22,17(25,26)19(29,30)31)13(37)35-11-5-1-9(2-6-11)10-3-7-12(8-4-10)36-14(38)16(23,24)18(27,28)20(32,33)34/h1-8H,(H,35,37)(H,36,38)

InChIKey

ARASDBXKTNNGSC-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,4-heptafluoro-N-[4-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]phenyl]butanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	577.05918	216.9
[M+Na]+	599.04112	224.4
[M-H]-	575.04462	207.3
[M+NH4]+	594.08572	219.4
[M+K]+	615.01506	218.5
[M+H-H2O]+	559.04916	199.2
[M+HCOO]-	621.05010	215.8
[M+CH3COO]-	635.06575	252.8
[M+Na-2H]-	597.02657	217.5
[M]+	576.05135	195.9
[M]-	576.05245	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.05918

216.9

[M+Na]+

599.04112

224.4

[M-H]-

575.04462

207.3

[M+NH4]+

594.08572

219.4

[M+K]+

615.01506

218.5

[M+H-H2O]+

559.04916

199.2

[M+HCOO]-

621.05010

215.8

[M+CH3COO]-

635.06575

252.8

[M+Na-2H]-

597.02657

217.5

[M]+

576.05135

195.9

[M]-

576.05245

195.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Butanamide, n,n'-(1,1'-biphenyl)-4,4'-diylbis(2,2,3,3,4,4,4-heptafluoro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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