CID 482662

2-chloro-6,7-difluoro-3-methylquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C9H5ClF2N2O2
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)Cl
InChI
InChI=1S/C9H5ClF2N2O2/c1-4-9(10)14(16)8-3-6(12)5(11)2-7(8)13(4)15/h2-3H,1H3
InChIKey
ASGKJBNYUKMONW-UHFFFAOYSA-N
Compound name
2-chloro-6,7-difluoro-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

246.00076 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00804 143.5
[M+Na]+ 268.98998 157.5
[M-H]- 244.99348 142.8
[M+NH4]+ 264.03458 160.1
[M+K]+ 284.96392 147.3
[M+H-H2O]+ 228.99802 140.7
[M+HCOO]- 290.99896 158.0
[M+CH3COO]- 305.01461 183.8
[M+Na-2H]- 266.97543 150.6
[M]+ 246.00021 143.6
[M]- 246.00131 143.6
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

No patent data available for this compound.