CID 66726031

3-phenyl-2-(trifluoromethyl)prop-2-enoic acid

Structural Information

Molecular Formula
C10H7F3O2
SMILES
C1=CC=C(C=C1)C=C(C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)8(9(14)15)6-7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey
JLTJGTZUUSSVMZ-UHFFFAOYSA-N
Compound name
3-phenyl-2-(trifluoromethyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

216.03981 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.047086 141.2
[M+Na]+ 239.029028 148.6
[M-H]- 215.032534 139.6
[M+NH4]+ 234.073633 158.8
[M+K]+ 255.002968 145.4
[M+H-H2O]+ 199.037070 133.5
[M+HCOO]- 261.038011 158.1
[M+CH3COO]- 275.053661 182.9
[M+Na-2H]- 237.014476 144.9
[M]+ 216.03926142 135.6
[M]- 216.04035858 135.6
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

patents stripe