CID 2782838

277756-45-3

Structural Information

Molecular Formula
C6H7F3O2
SMILES
C1CC(C1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11)
InChIKey
HYRCPSRIIWIESW-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

606
Patents

168.03981 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04709 132.1
[M+Na]+ 191.02903 138.7
[M-H]- 167.03253 130.9
[M+NH4]+ 186.07363 147.2
[M+K]+ 207.00297 140.4
[M+H-H2O]+ 151.03707 121.8
[M+HCOO]- 213.03801 147.8
[M+CH3COO]- 227.05366 177.4
[M+Na-2H]- 189.01448 137.0
[M]+ 168.03926 134.9
[M]- 168.04036 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe