CID 13352446

2-amino-2-(2,6-dichlorophenyl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C8H6Cl2N2
SMILES
C1=CC(=C(C(=C1)Cl)C(C#N)N)Cl
InChI
InChI=1S/C8H6Cl2N2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7H,12H2
InChIKey
SIGRSXMNRRYYAW-UHFFFAOYSA-N
Compound name
2-amino-2-(2,6-dichlorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

199.9908 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.998076 142.4
[M+Na]+ 222.980018 154.3
[M-H]- 198.983524 145.1
[M+NH4]+ 218.024623 160.7
[M+K]+ 238.953958 148.2
[M+H-H2O]+ 182.988060 132.5
[M+HCOO]- 244.989001 154.4
[M+CH3COO]- 259.004651 197.1
[M+Na-2H]- 220.965466 145.9
[M]+ 199.99025142 138.3
[M]- 199.99134858 138.3
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