CID 71425843

2,2,3-trifluoro-3-(trifluoromethoxy)propanoic acid

Structural Information

Molecular Formula
C4H2F6O3
SMILES
C(C(C(=O)O)(F)F)(OC(F)(F)F)F
InChI
InChI=1S/C4H2F6O3/c5-1(13-4(8,9)10)3(6,7)2(11)12/h1H,(H,11,12)
InChIKey
LNAKEXMFSBKUQU-UHFFFAOYSA-N
Compound name
2,2,3-trifluoro-3-(trifluoromethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

211.99081 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99809 131.4
[M+Na]+ 234.98003 139.9
[M-H]- 210.98353 123.1
[M+NH4]+ 230.02463 148.9
[M+K]+ 250.95397 139.3
[M+H-H2O]+ 194.98807 122.9
[M+HCOO]- 256.98901 143.8
[M+CH3COO]- 271.00466 182.4
[M+Na-2H]- 232.96548 134.8
[M]+ 211.99026 123.4
[M]- 211.99136 123.4
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.