CID 2777972

3,3,3-trifluoropropionic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4890
Patents

128.00851 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01579 127.5
[M+Na]+ 150.99773 134.3
[M+NH4]+ 146.04233 132.3
[M+K]+ 166.97167 131.3
[M-H]- 127.00123 121.2
[M+Na-2H]- 148.98318 128.6
[M]+ 128.00796 126.1
[M]- 128.00906 126.1
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