CID 309413

3-(3-nitrophenyl)-2-phenylprop-2-enoic acid

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1=CC=C(C=C1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C15H11NO4/c17-15(18)14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)16(19)20/h1-10H,(H,17,18)
InChIKey
AWELCBAXCALMIX-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)-2-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

269.06882 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 158.2
[M+Na]+ 292.05804 171.7
[M+NH4]+ 287.10264 165.2
[M+K]+ 308.03198 168.3
[M-H]- 268.06154 162.3
[M+Na-2H]- 290.04349 165.8
[M]+ 269.06827 161.0
[M]- 269.06937 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe