CID 21707869

7-bromo-1h-1,2,3-benzotriazole

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CC2=NNN=C2C(=C1)Br
InChI
InChI=1S/C6H4BrN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)
InChIKey
DNJANJSHTMOQOV-UHFFFAOYSA-N
Compound name
4-bromo-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

618
Patents

196.95886 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.966136 128.8
[M+Na]+ 219.948078 143.6
[M-H]- 195.951584 131.9
[M+NH4]+ 214.992683 150.4
[M+K]+ 235.922018 132.1
[M+H-H2O]+ 179.956120 128.6
[M+HCOO]- 241.957061 149.0
[M+CH3COO]- 255.972711 144.7
[M+Na-2H]- 217.933526 139.9
[M]+ 196.95831142 147.5
[M]- 196.95940858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe