CID 69753766

2,3-diamino-6-chlorobenzonitrile

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CC(=C(C(=C1N)N)C#N)Cl
InChI
InChI=1S/C7H6ClN3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-2H,10-11H2
InChIKey
FJSOJNZXBJCWNZ-UHFFFAOYSA-N
Compound name
2,3-diamino-6-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

167.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 133.1
[M+Na]+ 190.01424 145.2
[M+NH4]+ 185.05884 138.5
[M+K]+ 205.98818 136.1
[M-H]- 166.01774 129.1
[M+Na-2H]- 187.99969 137.3
[M]+ 167.02447 133.1
[M]- 167.02557 133.1
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