CID 5466750

5345-40-4

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1=CC=C(C=C1)/C(=C\C2=CC=CC=C2[N+](=O)[O-])/C(=O)O
InChI
InChI=1S/C15H11NO4/c17-15(18)13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)16(19)20/h1-10H,(H,17,18)/b13-10+
InChIKey
YLWQPIVSPODKCB-JLHYYAGUSA-N
Compound name
(E)-3-(2-nitrophenyl)-2-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe