PubChemLite - Dtxsid801034175 (C9H2F16O7)

Structural Information

Molecular Formula

SMILES

C(C(=O)O)(C(OC(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C9H2F16O7/c10-1(2(26)27)3(11,12)28-4(13,14)5(15,16)29-7(20,21)31-9(24,25)32-8(22,23)30-6(17,18)19/h1H,(H,26,27)

InChIKey

GTDLWHFKDXKZCF-UHFFFAOYSA-N

Compound name

3-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoropropanoic acid

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]+	526.96178	163.2
[M+Na]+	548.94372	167.3
[M-H]-	524.94722	173.2
[M+NH4]+	543.98832	175.5
[M+K]+	564.91766	173.6
[M+H-H2O]+	508.95176	155.2
[M+HCOO]-	570.95270	179.3
[M+CH3COO]-	584.96835	235.4
[M+Na-2H]-	546.92917	161.8
[M]+	525.95395	161.4
[M]-	525.95505	161.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.96178

163.2

[M+Na]+

548.94372

167.3

[M-H]-

524.94722

173.2

[M+NH4]+

543.98832

175.5

[M+K]+

564.91766

173.6

[M+H-H2O]+

508.95176

155.2

[M+HCOO]-

570.95270

179.3

[M+CH3COO]-

584.96835

235.4

[M+Na-2H]-

546.92917

161.8

[M]+

525.95395

161.4

[M]-

525.95505

161.4

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

Dtxsid801034175

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe