CID 43347492

1-azido-4-bromo-2-chlorobenzene

Structural Information

Molecular Formula
C6H3BrClN3
SMILES
C1=CC(=C(C=C1Br)Cl)N=[N+]=[N-]
InChI
InChI=1S/C6H3BrClN3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H
InChIKey
FRWVNWRMWLQQEA-UHFFFAOYSA-N
Compound name
1-azido-4-bromo-2-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.91989 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.92717 138.4
[M+Na]+ 253.90911 151.1
[M-H]- 229.91261 147.2
[M+NH4]+ 248.95371 160.9
[M+K]+ 269.88305 134.6
[M+H-H2O]+ 213.91715 142.2
[M+HCOO]- 275.91809 163.0
[M+CH3COO]- 289.93374 188.6
[M+Na-2H]- 251.89456 149.7
[M]+ 230.91934 157.0
[M]- 230.92044 157.0
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

No patent data available for this compound.