CID 6434066

4-chloro-2-(m-trifluoromethylbenzamido)cinnamic acid

Structural Information

Molecular Formula
C17H11ClF3NO3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(C=CC(=C2)Cl)/C=C/C(=O)O
InChI
InChI=1S/C17H11ClF3NO3/c18-13-6-4-10(5-7-15(23)24)14(9-13)22-16(25)11-2-1-3-12(8-11)17(19,20)21/h1-9H,(H,22,25)(H,23,24)/b7-5+
InChIKey
UDIUOIACTNLEPG-FNORWQNLSA-N
Compound name
(E)-3-[4-chloro-2-[[3-(trifluoromethyl)benzoyl]amino]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.03796 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.04524 177.8
[M+Na]+ 392.02718 186.3
[M-H]- 368.03068 179.6
[M+NH4]+ 387.07178 190.0
[M+K]+ 408.00112 179.3
[M+H-H2O]+ 352.03522 168.8
[M+HCOO]- 414.03616 190.8
[M+CH3COO]- 428.05181 212.6
[M+Na-2H]- 390.01263 178.5
[M]+ 369.03741 176.0
[M]- 369.03851 176.0
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.