CID 1051654

3-(4-aminophenyl)benzonitrile

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC(=CC(=C1)C2=CC=C(C=C2)N)C#N
InChI
InChI=1S/C13H10N2/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,15H2
InChIKey
CYKMHHNPZOCBKT-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

194.0844 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.091676 147.9
[M+Na]+ 217.073618 158.4
[M-H]- 193.077124 153.2
[M+NH4]+ 212.118223 164.8
[M+K]+ 233.047558 152.5
[M+H-H2O]+ 177.081660 134.6
[M+HCOO]- 239.082601 169.0
[M+CH3COO]- 253.098251 159.5
[M+Na-2H]- 215.059066 153.3
[M]+ 194.08385142 140.6
[M]- 194.08494858 140.6
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

patents stripe