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]+ 171.026346 127.9
[M+Na]+ 193.008288 136.0
[M-H]- 169.011794 122.0
[M+NH4]+ 188.052893 146.8
[M+K]+ 208.982228 134.4
[M+H-H2O]+ 153.016330 122.4
[M+HCOO]- 215.017271 142.9
[M+CH3COO]- 229.032921 172.1
[M+Na-2H]- 190.993736 133.2
[M]+ 170.01852142 122.4
[M]- 170.01961858 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