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
1
Annotation Hits

0
References

45
Patents

208.10005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 153.3
[M+Na]+ 231.08927 162.3
[M-H]- 207.09277 158.1
[M+NH4]+ 226.13387 169.3
[M+K]+ 247.06321 156.4
[M+H-H2O]+ 191.09731 139.6
[M+HCOO]- 253.09825 173.2
[M+CH3COO]- 267.11390 164.0
[M+Na-2H]- 229.07472 157.7
[M]+ 208.09950 145.4
[M]- 208.10060 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