CID 737215

2-amino-3,5-dichlorobenzonitrile

Structural Information

Molecular Formula
C7H4Cl2N2
SMILES
C1=C(C=C(C(=C1C#N)N)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChIKey
ZHKNDJRPOVUPMT-UHFFFAOYSA-N
Compound name
2-amino-3,5-dichlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

185.97516 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.982436 137.5
[M+Na]+ 208.964378 150.7
[M-H]- 184.967884 140.5
[M+NH4]+ 204.008983 156.6
[M+K]+ 224.938318 144.6
[M+H-H2O]+ 168.972420 127.9
[M+HCOO]- 230.973361 150.6
[M+CH3COO]- 244.989011 194.7
[M+Na-2H]- 206.949826 142.0
[M]+ 185.97461142 133.9
[M]- 185.97570858 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