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

102
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

No literature data available for this compound.

Patent stripe

patents stripe