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

30
Patents

167.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 137.4
[M+Na]+ 190.014238 149.2
[M-H]- 166.017744 140.4
[M+NH4]+ 185.058843 156.1
[M+K]+ 205.988178 144.6
[M+H-H2O]+ 150.022280 126.5
[M+HCOO]- 212.023221 155.2
[M+CH3COO]- 226.038871 194.4
[M+Na-2H]- 187.999686 141.5
[M]+ 167.02447142 131.1
[M]- 167.02556858 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