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

46
Patents

216.03981 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04709 141.2
[M+Na]+ 239.02903 148.6
[M-H]- 215.03253 139.6
[M+NH4]+ 234.07363 158.8
[M+K]+ 255.00297 145.4
[M+H-H2O]+ 199.03707 133.5
[M+HCOO]- 261.03801 158.1
[M+CH3COO]- 275.05366 182.9
[M+Na-2H]- 237.01448 144.9
[M]+ 216.03926 135.6
[M]- 216.04036 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