CID 3043208

55233-09-5

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
CC(C#N)(C1=CC=CC=C1)C2=CC(=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H11ClN2O2/c1-15(10-17,11-5-3-2-4-6-11)12-7-8-14(18(19)20)13(16)9-12/h2-9H,1H3
InChIKey
RSGBYXOGQWTBLD-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-nitrophenyl)-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 163.3
[M+Na]+ 309.04012 178.3
[M+NH4]+ 304.08472 168.6
[M+K]+ 325.01406 169.7
[M-H]- 285.04362 161.3
[M+Na-2H]- 307.02557 169.6
[M]+ 286.05035 164.5
[M]- 286.05145 164.5
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

No patent data available for this compound.