CID 11851114

4-cyano-2'-nitrodiphenyl

Structural Information

Molecular Formula
C13H8N2O2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C#N)[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O2/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15(16)17/h1-8H
InChIKey
LZUDBRIMDISCJM-UHFFFAOYSA-N
Compound name
4-(2-nitrophenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

224.05858 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06586 156.7
[M+Na]+ 247.04780 166.3
[M-H]- 223.05130 162.2
[M+NH4]+ 242.09240 171.8
[M+K]+ 263.02174 157.4
[M+H-H2O]+ 207.05584 147.0
[M+HCOO]- 269.05678 178.2
[M+CH3COO]- 283.07243 196.0
[M+Na-2H]- 245.03325 162.8
[M]+ 224.05803 149.8
[M]- 224.05913 149.8
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