CID 639659

4-nitrostilbene

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKey
ZISCOWXWCHUSMH-VOTSOKGWSA-N
Compound name
1-nitro-4-[(E)-2-phenylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

416
Patents

225.07898 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 148.9
[M+Na]+ 248.06820 164.9
[M+NH4]+ 243.11280 158.2
[M+K]+ 264.04214 158.7
[M-H]- 224.07170 155.3
[M+Na-2H]- 246.05365 159.1
[M]+ 225.07843 153.1
[M]- 225.07953 153.1
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