CID 103691559

2-fluoro-2-(trifluoromethoxy)acetic acid

Structural Information

Molecular Formula
C3H2F4O3
SMILES
C(C(=O)O)(OC(F)(F)F)F
InChI
InChI=1S/C3H2F4O3/c4-1(2(8)9)10-3(5,6)7/h1H,(H,8,9)
InChIKey
AHNGIQVEXYDMAP-UHFFFAOYSA-N
Compound name
2-fluoro-2-(trifluoromethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00128 122.3
[M+Na]+ 184.98322 130.8
[M-H]- 160.98672 116.6
[M+NH4]+ 180.02782 142.1
[M+K]+ 200.95716 130.8
[M+H-H2O]+ 144.99126 115.3
[M+HCOO]- 206.99220 138.8
[M+CH3COO]- 221.00785 173.0
[M+Na-2H]- 182.96867 126.5
[M]+ 161.99345 117.3
[M]- 161.99455 117.3
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.