CID 966813

F 2391

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O2/c16-11-14(10-12-4-2-1-3-5-12)13-6-8-15(9-7-13)17(18)19/h1-10H/b14-10+
InChIKey
LHERNHSFIPILFV-GXDHUFHOSA-N
Compound name
(Z)-2-(4-nitrophenyl)-3-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.07423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08151 166.7
[M+Na]+ 273.06345 174.7
[M-H]- 249.06695 171.5
[M+NH4]+ 268.10805 180.4
[M+K]+ 289.03739 165.1
[M+H-H2O]+ 233.07149 156.5
[M+HCOO]- 295.07243 186.7
[M+CH3COO]- 309.08808 199.5
[M+Na-2H]- 271.04890 171.1
[M]+ 250.07368 158.6
[M]- 250.07478 158.6
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

No patent data available for this compound.