CID 15209513

4,6-dibromo-2,1,3-benzoxadiazole

Structural Information

Molecular Formula
C6H2Br2N2O
SMILES
C1=C(C=C(C2=NON=C21)Br)Br
InChI
InChI=1S/C6H2Br2N2O/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H
InChIKey
CWWZUAXJZKSULT-UHFFFAOYSA-N
Compound name
4,6-dibromo-2,1,3-benzoxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

275.8534 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.86068 130.3
[M+Na]+ 298.84262 144.6
[M-H]- 274.84612 137.4
[M+NH4]+ 293.88722 150.0
[M+K]+ 314.81656 131.3
[M+H-H2O]+ 258.85066 139.2
[M+HCOO]- 320.85160 147.3
[M+CH3COO]- 334.86725 146.4
[M+Na-2H]- 296.82807 141.1
[M]+ 275.85285 167.5
[M]- 275.85395 167.5
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