CID 155970220

1-hydroxy-2-(trifluoromethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H5F3O3
SMILES
C1C(C1(C(=O)O)O)C(F)(F)F
InChI
InChI=1S/C5H5F3O3/c6-5(7,8)2-1-4(2,11)3(9)10/h2,11H,1H2,(H,9,10)
InChIKey
OUKSLJZHSBLTFK-UHFFFAOYSA-N
Compound name
1-hydroxy-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.01907 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.026346 123.2
[M+Na]+ 193.008288 133.8
[M-H]- 169.011794 122.3
[M+NH4]+ 188.052893 139.5
[M+K]+ 208.982228 131.6
[M+H-H2O]+ 153.016330 117.7
[M+HCOO]- 215.017271 139.6
[M+CH3COO]- 229.032921 175.6
[M+Na-2H]- 190.993736 129.2
[M]+ 170.01852142 121.5
[M]- 170.01961858 121.5
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

No patent data available for this compound.