CID 155822897

2490420-53-4

Structural Information

Molecular Formula
C10H7F3O2
SMILES
C1C(C1(F)F)(C2=CC=CC(=C2)C(=O)O)F
InChI
InChI=1S/C10H7F3O2/c11-9(5-10(9,12)13)7-3-1-2-6(4-7)8(14)15/h1-4H,5H2,(H,14,15)
InChIKey
RXSRAGXCVOBCBQ-UHFFFAOYSA-N
Compound name
3-(1,2,2-trifluorocyclopropyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.03981 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04709 135.0
[M+Na]+ 239.02903 146.6
[M-H]- 215.03253 138.6
[M+NH4]+ 234.07363 152.0
[M+K]+ 255.00297 144.1
[M+H-H2O]+ 199.03707 128.5
[M+HCOO]- 261.03801 154.1
[M+CH3COO]- 275.05366 187.2
[M+Na-2H]- 237.01448 141.0
[M]+ 216.03926 134.6
[M]- 216.04036 134.6
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.