CID 20355531

2,2,3-trifluoropropanoic acid

Structural Information

Molecular Formula
C3H3F3O2
SMILES
C(C(C(=O)O)(F)F)F
InChI
InChI=1S/C3H3F3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)
InChIKey
RUDQPWNLKJLFJL-UHFFFAOYSA-N
Compound name
2,2,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

128.00851 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.015786 117.1
[M+Na]+ 150.997728 125.7
[M-H]- 127.001234 112.6
[M+NH4]+ 146.042333 138.4
[M+K]+ 166.971668 125.2
[M+H-H2O]+ 111.005770 111.1
[M+HCOO]- 173.006711 135.3
[M+CH3COO]- 187.022361 167.9
[M+Na-2H]- 148.983176 123.0
[M]+ 128.00796142 112.6
[M]- 128.00905858 112.6
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