CID 87280745

2,3,3-trifluorobutanoic acid

Structural Information

Molecular Formula
C4H5F3O2
SMILES
CC(C(C(=O)O)F)(F)F
InChI
InChI=1S/C4H5F3O2/c1-4(6,7)2(5)3(8)9/h2H,1H3,(H,8,9)
InChIKey
LTUWFDJKAFHTPR-UHFFFAOYSA-N
Compound name
2,3,3-trifluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

142.02417 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03145 121.6
[M+Na]+ 165.01339 129.6
[M-H]- 141.01689 117.0
[M+NH4]+ 160.05799 142.2
[M+K]+ 180.98733 129.3
[M+H-H2O]+ 125.02143 115.5
[M+HCOO]- 187.02237 138.5
[M+CH3COO]- 201.03802 171.8
[M+Na-2H]- 162.99884 125.7
[M]+ 142.02362 116.8
[M]- 142.02472 116.8
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