CID 120228

377-73-1

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

53
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 168.6
[M+Na]+ 252.97060 170.3
[M+NH4]+ 248.01520 168.6
[M+K]+ 268.94454 168.4
[M-H]- 228.97410 158.7
[M+Na-2H]- 250.95605 165.7
[M]+ 229.98083 165.5
[M]- 229.98193 165.5
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