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

2
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

No literature data available for this compound.

Patent stripe

patents stripe