CID 51059974

3-(4-chloro-3-nitrophenyl)-2-phenylacrylic acid

Structural Information

Molecular Formula
C15H10ClNO4
SMILES
C1=CC=C(C=C1)/C(=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C(=O)O
InChI
InChI=1S/C15H10ClNO4/c16-13-7-6-10(9-14(13)17(20)21)8-12(15(18)19)11-4-2-1-3-5-11/h1-9H,(H,18,19)/b12-8+
InChIKey
PKXMAFZOSSKMAN-XYOKQWHBSA-N
Compound name
(E)-3-(4-chloro-3-nitrophenyl)-2-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.02985 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03713 165.2
[M+Na]+ 326.01907 171.5
[M-H]- 302.02257 170.4
[M+NH4]+ 321.06367 178.9
[M+K]+ 341.99301 162.3
[M+H-H2O]+ 286.02711 163.4
[M+HCOO]- 348.02805 183.0
[M+CH3COO]- 362.04370 192.9
[M+Na-2H]- 324.00452 168.9
[M]+ 303.02930 164.9
[M]- 303.03040 164.9
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.