CID 3068964

Brn 5055787

Structural Information

Molecular Formula
C10H7Br2FN2O2
SMILES
C1=CC2=C(C=C1F)N(C(=C([N+]2=O)CBr)CBr)[O-]
InChI
InChI=1S/C10H7Br2FN2O2/c11-4-9-10(5-12)15(17)8-3-6(13)1-2-7(8)14(9)16/h1-3H,4-5H2
InChIKey
JPIUMANCTCJJJR-UHFFFAOYSA-N
Compound name
2,3-bis(bromomethyl)-6-fluoro-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.88583 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.89311 154.8
[M+Na]+ 386.87505 167.6
[M-H]- 362.87855 159.1
[M+NH4]+ 381.91965 170.6
[M+K]+ 402.84899 148.2
[M+H-H2O]+ 346.88309 165.3
[M+HCOO]- 408.88403 168.0
[M+CH3COO]- 422.89968 205.7
[M+Na-2H]- 384.86050 163.0
[M]+ 363.88528 189.4
[M]- 363.88638 189.4
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