CID 339104

5-chlorobenzene-1,2,3-triamine

Structural Information

Molecular Formula
C6H8ClN3
SMILES
C1=C(C=C(C(=C1N)N)N)Cl
InChI
InChI=1S/C6H8ClN3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,8-10H2
InChIKey
JIGLHKJLEWNHSS-UHFFFAOYSA-N
Compound name
5-chlorobenzene-1,2,3-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.04068 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 130.9
[M+Na]+ 180.02990 140.7
[M-H]- 156.03340 134.1
[M+NH4]+ 175.07450 151.7
[M+K]+ 196.00384 136.3
[M+H-H2O]+ 140.03794 126.4
[M+HCOO]- 202.03888 153.0
[M+CH3COO]- 216.05453 182.5
[M+Na-2H]- 178.01535 135.5
[M]+ 157.04013 127.6
[M]- 157.04123 127.6
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