CID 723722

Mls003115078

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)14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)16(19)20/h1-10H,(H,17,18)/b14-10-
InChIKey
AWELCBAXCALMIX-UVTDQMKNSA-N
Compound name
(Z)-3-(3-nitrophenyl)-2-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe