CID 172416259

2-(trifluoromethyl)oxetane-2-carboxylic acid

Structural Information

Molecular Formula
C5H5F3O3
SMILES
C1COC1(C(=O)O)C(F)(F)F
InChI
InChI=1S/C5H5F3O3/c6-5(7,8)4(3(9)10)1-2-11-4/h1-2H2,(H,9,10)
InChIKey
JATJTGSJMZIFIX-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)oxetane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.01907 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02635 127.9
[M+Na]+ 193.00829 134.6
[M-H]- 169.01179 127.4
[M+NH4]+ 188.05289 141.6
[M+K]+ 208.98223 138.2
[M+H-H2O]+ 153.01633 117.5
[M+HCOO]- 215.01727 143.2
[M+CH3COO]- 229.03292 176.5
[M+Na-2H]- 190.99374 134.6
[M]+ 170.01852 132.3
[M]- 170.01962 132.3
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.