PubChemLite - 556050-49-8 (C22H14F17NO5)

Structural Information

Molecular Formula

SMILES

C1CC(=O)N(C1=O)OC(=O)OCC2=CC=C(C=C2)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C22H14F17NO5/c23-15(24,8-7-10-1-3-11(4-2-10)9-44-14(43)45-40-12(41)5-6-13(40)42)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h1-4H,5-9H2

InChIKey

DLEHONFUGNNFOG-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl carbonate

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]+	696.06734	192.8
[M+Na]+	718.04928	202.7
[M-H]-	694.05278	203.5
[M+NH4]+	713.09388	207.7
[M+K]+	734.02322	207.4
[M+H-H2O]+	678.05732	185.5
[M+HCOO]-	740.05826	218.6
[M+CH3COO]-	754.07391	263.8
[M+Na-2H]-	716.03473	190.3
[M]+	695.05951	192.5
[M]-	695.06061	192.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

696.06734

192.8

[M+Na]+

718.04928

202.7

[M-H]-

694.05278

203.5

[M+NH4]+

713.09388

207.7

[M+K]+

734.02322

207.4

[M+H-H2O]+

678.05732

185.5

[M+HCOO]-

740.05826

218.6

[M+CH3COO]-

754.07391

263.8

[M+Na-2H]-

716.03473

190.3

[M]+

695.05951

192.5

[M]-

695.06061

192.5

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

556050-49-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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