CID 18449

2,3-bis(bromomethyl)quinoxaline

Structural Information

Molecular Formula
C10H8Br2N2
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)CBr)CBr
InChI
InChI=1S/C10H8Br2N2/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9/h1-4H,5-6H2
InChIKey
LHKFFORGJVELPC-UHFFFAOYSA-N
Compound name
2,3-bis(bromomethyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

165
Patents

313.90543 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.91271 140.0
[M+Na]+ 336.89465 151.7
[M-H]- 312.89815 145.6
[M+NH4]+ 331.93925 157.8
[M+K]+ 352.86859 136.5
[M+H-H2O]+ 296.90269 148.2
[M+HCOO]- 358.90363 154.6
[M+CH3COO]- 372.91928 154.1
[M+Na-2H]- 334.88010 150.0
[M]+ 313.90488 174.9
[M]- 313.90598 174.9
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