CID 116771

2-(p-aminophenyl)-2-phenylacetonitrile monohydrochloride

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H12N2/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-9,14H,16H2
InChIKey
ICAAICSDOCMEKS-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

208.10005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.107326 153.3
[M+Na]+ 231.089268 162.3
[M-H]- 207.092774 158.1
[M+NH4]+ 226.133873 169.3
[M+K]+ 247.063208 156.4
[M+H-H2O]+ 191.097310 139.6
[M+HCOO]- 253.098251 173.2
[M+CH3COO]- 267.113901 164.0
[M+Na-2H]- 229.074716 157.7
[M]+ 208.09950142 145.4
[M]- 208.10059858 145.4
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