CID 1278082

Nsc638185

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)O
InChI
InChI=1S/C15H11NO4/c17-15(18)14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(19)20/h1-10H,(H,17,18)/b14-10-
InChIKey
AYKTVOLPMVPDMN-UVTDQMKNSA-N
Compound name
(Z)-3-(4-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 158.9
[M+Na]+ 292.05804 163.8
[M-H]- 268.06154 164.0
[M+NH4]+ 287.10264 172.8
[M+K]+ 308.03198 156.1
[M+H-H2O]+ 252.06608 155.9
[M+HCOO]- 314.06702 181.3
[M+CH3COO]- 328.08267 188.0
[M+Na-2H]- 290.04349 163.8
[M]+ 269.06827 155.7
[M]- 269.06937 155.7
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