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

27
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 137.4
[M+Na]+ 190.01424 149.2
[M-H]- 166.01774 140.4
[M+NH4]+ 185.05884 156.1
[M+K]+ 205.98818 144.6
[M+H-H2O]+ 150.02228 126.5
[M+HCOO]- 212.02322 155.2
[M+CH3COO]- 226.03887 194.4
[M+Na-2H]- 187.99969 141.5
[M]+ 167.02447 131.1
[M]- 167.02557 131.1
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