CID 13213330

13140-29-9

Structural Information

Molecular Formula
C4HF7O3
SMILES
C(=O)(C(C(F)(F)F)(OC(F)(F)F)F)O
InChI
InChI=1S/C4HF7O3/c5-2(1(12)13,3(6,7)8)14-4(9,10)11/h(H,12,13)
InChIKey
JFIQYUFQLKYFPJ-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

229.98138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98866 134.2
[M+Na]+ 252.97060 143.4
[M-H]- 228.97410 125.0
[M+NH4]+ 248.01520 151.1
[M+K]+ 268.94454 142.5
[M+H-H2O]+ 212.97864 125.3
[M+HCOO]- 274.97958 144.9
[M+CH3COO]- 288.99523 184.5
[M+Na-2H]- 250.95605 139.2
[M]+ 229.98083 124.7
[M]- 229.98193 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe