CID 6415885

5,6-dibromo-1h-benzotriazole

Structural Information

Molecular Formula
C6H3Br2N3
SMILES
C1=C(C(=CC2=NNN=C21)Br)Br
InChI
InChI=1S/C6H3Br2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
InChIKey
DULRVLLMOREPRG-UHFFFAOYSA-N
Compound name
5,6-dibromo-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

274.8694 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.87668 129.3
[M+Na]+ 297.85862 143.3
[M-H]- 273.86212 133.9
[M+NH4]+ 292.90322 148.5
[M+K]+ 313.83256 128.0
[M+H-H2O]+ 257.86666 137.9
[M+HCOO]- 319.86760 144.8
[M+CH3COO]- 333.88325 144.4
[M+Na-2H]- 295.84407 139.4
[M]+ 274.86885 163.9
[M]- 274.86995 163.9
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