CID 459420

3-amino-[1,1'-biphenyl]-4-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

194.0844 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe