CID 53417580

1093750-93-6

Structural Information

Molecular Formula
C6H7F3O2
SMILES
C1C(CC1C(F)(F)F)C(=O)O
InChI
InChI=1S/C6H7F3O2/c7-6(8,9)4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11)
InChIKey
ZSULKAPJHICPKB-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

168.03981 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.047086 130.3
[M+Na]+ 191.029028 136.8
[M-H]- 167.032534 129.0
[M+NH4]+ 186.073633 143.6
[M+K]+ 207.002968 138.5
[M+H-H2O]+ 151.037070 118.8
[M+HCOO]- 213.038011 145.9
[M+CH3COO]- 227.053661 179.0
[M+Na-2H]- 189.014476 133.5
[M]+ 168.03926142 133.1
[M]- 168.04035858 133.1
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