CID 522706

4-amino-3,5-dichlorobenzonitrile

Structural Information

Molecular Formula
C7H4Cl2N2
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)C#N
InChI
InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKey
COFNCCWGWXFACE-UHFFFAOYSA-N
Compound name
4-amino-3,5-dichlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

398
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

literature stripe

Patent stripe

patents stripe