CID 118012642

6-quinoxalinecarboxylic acid, 2,3-bis(bromomethyl)-

Structural Information

Molecular Formula
C11H8Br2N2O2
SMILES
C1=CC2=C(C=C1C(=O)O)N=C(C(=N2)CBr)CBr
InChI
InChI=1S/C11H8Br2N2O2/c12-4-9-10(5-13)15-8-3-6(11(16)17)1-2-7(8)14-9/h1-3H,4-5H2,(H,16,17)
InChIKey
QGKACHNDUYVGLW-UHFFFAOYSA-N
Compound name
2,3-bis(bromomethyl)quinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

357.89526 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.90254 157.3
[M+Na]+ 380.88448 152.8
[M+NH4]+ 375.92908 158.5
[M+K]+ 396.85842 159.3
[M-H]- 356.88798 157.2
[M+Na-2H]- 378.86993 158.2
[M]+ 357.89471 155.5
[M]- 357.89581 155.5
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

patents stripe