CID 162396510

Dtxsid601034155

Structural Information

Molecular Formula
C8H2F14O7
SMILES
C(C(=O)O)(OC(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H2F14O7/c9-1(2(23)24)25-3(10,11)4(12,13)26-6(17,18)28-8(21,22)29-7(19,20)27-5(14,15)16/h1H,(H,23,24)
InChIKey
HSVFOHWEZHRXJN-UHFFFAOYSA-N
Compound name
2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

475.9577 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.96498 156.3
[M+Na]+ 498.94692 161.0
[M-H]- 474.95042 164.9
[M+NH4]+ 493.99152 167.6
[M+K]+ 514.92086 165.1
[M+H-H2O]+ 458.95496 149.7
[M+HCOO]- 520.95590 172.7
[M+CH3COO]- 534.97155 227.1
[M+Na-2H]- 496.93237 154.7
[M]+ 475.95715 154.5
[M]- 475.95825 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.