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

59
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 127.4
[M+Na]+ 150.99773 134.1
[M+NH4]+ 146.04233 132.2
[M+K]+ 166.97167 131.2
[M-H]- 127.00123 121.0
[M+Na-2H]- 148.98318 128.5
[M]+ 128.00796 126.0
[M]- 128.00906 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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