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

0
Patents

157.04068 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.047956 130.9
[M+Na]+ 180.029898 140.7
[M-H]- 156.033404 134.1
[M+NH4]+ 175.074503 151.7
[M+K]+ 196.003838 136.3
[M+H-H2O]+ 140.037940 126.4
[M+HCOO]- 202.038881 153.0
[M+CH3COO]- 216.054531 182.5
[M+Na-2H]- 178.015346 135.5
[M]+ 157.04013142 127.6
[M]- 157.04122858 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