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

126
Patents

219.94029 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe