CID 966813

Acrylonitrile, 2-(p-nitrophenyl)-3-phenyl-

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]+ 251.081506 166.7
[M+Na]+ 273.063448 174.7
[M-H]- 249.066954 171.5
[M+NH4]+ 268.108053 180.4
[M+K]+ 289.037388 165.1
[M+H-H2O]+ 233.071490 156.5
[M+HCOO]- 295.072431 186.7
[M+CH3COO]- 309.088081 199.5
[M+Na-2H]- 271.048896 171.1
[M]+ 250.07368142 158.6
[M]- 250.07477858 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.