CID 18992806

2-amino-4,6-dichlorobenzonitrile

Structural Information

Molecular Formula
C7H4Cl2N2
SMILES
C1=C(C=C(C(=C1N)C#N)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2H,11H2
InChIKey
GZAHHXLOLGSNND-UHFFFAOYSA-N
Compound name
2-amino-4,6-dichlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.97516 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98244 137.5
[M+Na]+ 208.96438 150.7
[M-H]- 184.96788 140.5
[M+NH4]+ 204.00898 156.6
[M+K]+ 224.93832 144.6
[M+H-H2O]+ 168.97242 127.9
[M+HCOO]- 230.97336 150.6
[M+CH3COO]- 244.98901 194.7
[M+Na-2H]- 206.94983 142.0
[M]+ 185.97461 133.9
[M]- 185.97571 133.9
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