CID 16786962

2-amino-2-(3,4-dichlorophenyl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C8H6Cl2N2
SMILES
C1=CC(=C(C=C1C(C#N)N)Cl)Cl
InChI
InChI=1S/C8H6Cl2N2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2
InChIKey
OIJOTGFCYGNHDS-UHFFFAOYSA-N
Compound name
2-amino-2-(3,4-dichlorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

199.9908 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99808 142.4
[M+Na]+ 222.98002 154.3
[M-H]- 198.98352 145.1
[M+NH4]+ 218.02462 160.7
[M+K]+ 238.95396 148.2
[M+H-H2O]+ 182.98806 132.5
[M+HCOO]- 244.98900 154.4
[M+CH3COO]- 259.00465 197.1
[M+Na-2H]- 220.96547 145.9
[M]+ 199.99025 138.3
[M]- 199.99135 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

No literature data available for this compound.

Patent stripe

patents stripe