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

33
Patents

194.0844 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09168 147.3
[M+Na]+ 217.07362 161.4
[M+NH4]+ 212.11822 153.3
[M+K]+ 233.04756 150.2
[M-H]- 193.07712 145.4
[M+Na-2H]- 215.05907 154.3
[M]+ 194.08385 148.1
[M]- 194.08495 148.1
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

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