CID 165880078

5-bromo-6-chloro-1h-1,2,3-benzotriazole

Structural Information

Molecular Formula
C6H3BrClN3
SMILES
C1=C(C(=CC2=NNN=C21)Br)Cl
InChI
InChI=1S/C6H3BrClN3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
InChIKey
MSZGNPPOMBBAEU-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.91989 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.92717 133.5
[M+Na]+ 253.90911 150.0
[M-H]- 229.91261 136.6
[M+NH4]+ 248.95371 154.8
[M+K]+ 269.88305 136.7
[M+H-H2O]+ 213.91715 133.6
[M+HCOO]- 275.91809 149.1
[M+CH3COO]- 289.93374 149.3
[M+Na-2H]- 251.89456 143.5
[M]+ 230.91934 154.1
[M]- 230.92044 154.1
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.