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]+ 231.927166 138.4
[M+Na]+ 253.909108 151.1
[M-H]- 229.912614 147.2
[M+NH4]+ 248.953713 160.9
[M+K]+ 269.883048 134.6
[M+H-H2O]+ 213.917150 142.2
[M+HCOO]- 275.918091 163.0
[M+CH3COO]- 289.933741 188.6
[M+Na-2H]- 251.894556 149.7
[M]+ 230.91934142 157.0
[M]- 230.92043858 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.