CID 351529

3-bromo-5-chlorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H6BrClN2
SMILES
C1=C(C=C(C(=C1N)N)Br)Cl
InChI
InChI=1S/C6H6BrClN2/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,9-10H2
InChIKey
CHFHJBJOPRLHCG-UHFFFAOYSA-N
Compound name
3-bromo-5-chlorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

219.94029 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94757 135.9
[M+Na]+ 242.92951 149.4
[M-H]- 218.93301 141.8
[M+NH4]+ 237.97411 158.1
[M+K]+ 258.90345 135.6
[M+H-H2O]+ 202.93755 136.3
[M+HCOO]- 264.93849 154.8
[M+CH3COO]- 278.95414 188.1
[M+Na-2H]- 240.91496 142.2
[M]+ 219.93974 152.6
[M]- 219.94084 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe