CID 23463838

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

Structural Information

Molecular Formula
C6H6BrClN2
SMILES
C1=C(C(=CC(=C1Cl)Br)N)N
InChI
InChI=1S/C6H6BrClN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
InChIKey
VBJCMWQIEHOUAT-UHFFFAOYSA-N
Compound name
4-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.947566 135.9
[M+Na]+ 242.929508 149.4
[M-H]- 218.933014 141.8
[M+NH4]+ 237.974113 158.1
[M+K]+ 258.903448 135.6
[M+H-H2O]+ 202.937550 136.3
[M+HCOO]- 264.938491 154.8
[M+CH3COO]- 278.954141 188.1
[M+Na-2H]- 240.914956 142.2
[M]+ 219.93974142 152.6
[M]- 219.94083858 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

No literature data available for this compound.

Patent stripe

patents stripe