CID 511509

18080-67-6

Structural Information

Molecular Formula
C10H8Br2N2O2
SMILES
C1=CC=C2C(=C1)N(C(=C([N+]2=O)CBr)CBr)[O-]
InChI
InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2
InChIKey
DQKNFTLRMZOAMG-UHFFFAOYSA-N
Compound name
2,3-bis(bromomethyl)-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

11
Patents

345.89526 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.90254 150.7
[M+Na]+ 368.88448 162.9
[M-H]- 344.88798 155.9
[M+NH4]+ 363.92908 167.0
[M+K]+ 384.85842 144.0
[M+H-H2O]+ 328.89252 162.0
[M+HCOO]- 390.89346 164.8
[M+CH3COO]- 404.90911 202.8
[M+Na-2H]- 366.86993 160.1
[M]+ 345.89471 186.0
[M]- 345.89581 186.0
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