PubChemLite - Dfvodfpo-cf2-2hitfb (C32H21F9O2)

Structural Information

Molecular Formula

SMILES

CCC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)C(OC5=CC(=C(C(=C5)F)OC=C(F)F)F)(F)F)F)F

InChI

InChI=1S/C32H21F9O2/c1-2-16-7-17-3-4-18(9-20(17)8-16)19-5-6-23(24(33)10-19)21-11-25(34)30(26(35)12-21)32(40,41)43-22-13-27(36)31(28(37)14-22)42-15-29(38)39/h3-6,9-16H,2,7-8H2,1H3

InChIKey

FXYCZMIPAWEPSS-UHFFFAOYSA-N

Compound name

5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene

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]+	609.14708	249.0
[M+Na]+	631.12902	259.8
[M-H]-	607.13252	251.7
[M+NH4]+	626.17362	254.0
[M+K]+	647.10296	248.8
[M+H-H2O]+	591.13706	230.6
[M+HCOO]-	653.13800	256.0
[M+CH3COO]-	667.15365	263.2
[M+Na-2H]-	629.11447	237.6
[M]+	608.13925	241.9
[M]-	608.14035	241.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.14708

249.0

[M+Na]+

631.12902

259.8

[M-H]-

607.13252

251.7

[M+NH4]+

626.17362

254.0

[M+K]+

647.10296

248.8

[M+H-H2O]+

591.13706

230.6

[M+HCOO]-

653.13800

256.0

[M+CH3COO]-

667.15365

263.2

[M+Na-2H]-

629.11447

237.6

[M]+

608.13925

241.9

[M]-

608.14035

241.9

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

Dfvodfpo-cf2-2hitfb

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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