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

467
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 131.6
[M+Na]+ 208.96438 145.5
[M+NH4]+ 204.00898 137.7
[M+K]+ 224.93832 135.5
[M-H]- 184.96788 127.6
[M+Na-2H]- 206.94983 136.8
[M]+ 185.97461 132.2
[M]- 185.97571 132.2
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