CID 11309731

2-amino-2-(4-chlorophenyl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C8H7ClN2
SMILES
C1=CC(=CC=C1C(C#N)N)Cl
InChI
InChI=1S/C8H7ClN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2
InChIKey
JAUKOLRHHAJVST-UHFFFAOYSA-N
Compound name
2-amino-2-(4-chlorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

166.02977 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 136.6
[M+Na]+ 189.01899 147.2
[M-H]- 165.02249 139.5
[M+NH4]+ 184.06359 155.5
[M+K]+ 204.99293 142.5
[M+H-H2O]+ 149.02703 125.5
[M+HCOO]- 211.02797 153.1
[M+CH3COO]- 225.04362 191.9
[M+Na-2H]- 187.00444 141.5
[M]+ 166.02922 131.1
[M]- 166.03032 131.1
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

patents stripe