CID 6415885

716320-92-2

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

53
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.