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]+ 171.02635 123.2
[M+Na]+ 193.00829 133.8
[M-H]- 169.01179 122.3
[M+NH4]+ 188.05289 139.5
[M+K]+ 208.98223 131.6
[M+H-H2O]+ 153.01633 117.7
[M+HCOO]- 215.01727 139.6
[M+CH3COO]- 229.03292 175.6
[M+Na-2H]- 190.99374 129.2
[M]+ 170.01852 121.5
[M]- 170.01962 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.