CID 47003336

2-amino-2-(3,5-dichlorophenyl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C8H6Cl2N2
SMILES
C1=C(C=C(C=C1Cl)Cl)C(C#N)N
InChI
InChI=1S/C8H6Cl2N2/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8H,12H2
InChIKey
TUUROTCSOWXLGM-UHFFFAOYSA-N
Compound name
2-amino-2-(3,5-dichlorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.9908 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99808 136.9
[M+Na]+ 222.98002 150.1
[M+NH4]+ 218.02462 142.8
[M+K]+ 238.95396 140.3
[M-H]- 198.98352 132.7
[M+Na-2H]- 220.96547 141.7
[M]+ 199.99025 137.3
[M]- 199.99135 137.3
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

No patent data available for this compound.