CID 5361091

1,2-benzenediamine, 5-chloro-3-nitro-

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
C1=C(C=C(C(=C1N)N)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H6ClN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2
InChIKey
PIPKLZRJGNJMBY-UHFFFAOYSA-N
Compound name
5-chloro-3-nitrobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

19
Patents

187.01485 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.022126 134.0
[M+Na]+ 210.004068 142.9
[M-H]- 186.007574 137.3
[M+NH4]+ 205.048673 153.0
[M+K]+ 225.978008 135.4
[M+H-H2O]+ 170.012110 134.1
[M+HCOO]- 232.013051 156.8
[M+CH3COO]- 246.028701 178.9
[M+Na-2H]- 207.989516 140.3
[M]+ 187.01430142 131.3
[M]- 187.01539858 131.3
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