CID 2818500

Alpha-nitrostilbene

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\[N+](=O)[O-]
InChI
InChI=1S/C14H11NO2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11-
InChIKey
QIFBVYLHLLTNLI-KAMYIIQDSA-N
Compound name
[(Z)-2-nitro-2-phenylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

41
Patents

225.07898 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 149.7
[M+Na]+ 248.06820 154.9
[M-H]- 224.07170 156.0
[M+NH4]+ 243.11280 166.3
[M+K]+ 264.04214 147.3
[M+H-H2O]+ 208.07624 146.8
[M+HCOO]- 270.07718 174.4
[M+CH3COO]- 284.09283 182.8
[M+Na-2H]- 246.05365 157.1
[M]+ 225.07843 146.3
[M]- 225.07953 146.3
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