CID 46845374

2-hydroxy-2-(trifluoromethyl)but-3-enoic acid

Structural Information

Molecular Formula
C5H5F3O3
SMILES
C=CC(C(=O)O)(C(F)(F)F)O
InChI
InChI=1S/C5H5F3O3/c1-2-4(11,3(9)10)5(6,7)8/h2,11H,1H2,(H,9,10)
InChIKey
DBYHTMVEZYOEKF-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(trifluoromethyl)but-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.01907 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02635 127.9
[M+Na]+ 193.00829 136.0
[M-H]- 169.01179 122.0
[M+NH4]+ 188.05289 146.8
[M+K]+ 208.98223 134.4
[M+H-H2O]+ 153.01633 122.4
[M+HCOO]- 215.01727 142.9
[M+CH3COO]- 229.03292 172.1
[M+Na-2H]- 190.99374 133.2
[M]+ 170.01852 122.4
[M]- 170.01962 122.4
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

patents stripe