CID 482637

2,7-dichloro-3-methylquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C9H6Cl2N2O2
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O2/c1-5-9(11)13(15)8-4-6(10)2-3-7(8)12(5)14/h2-4H,1H3
InChIKey
YWLHATCNHDEWKY-UHFFFAOYSA-N
Compound name
2,7-dichloro-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.98064 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98792 145.7
[M+Na]+ 266.96986 158.5
[M-H]- 242.97336 146.2
[M+NH4]+ 262.01446 162.4
[M+K]+ 282.94380 148.4
[M+H-H2O]+ 226.97790 145.0
[M+HCOO]- 288.97884 156.9
[M+CH3COO]- 302.99449 181.9
[M+Na-2H]- 264.95531 153.4
[M]+ 243.98009 148.3
[M]- 243.98119 148.3
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

No patent data available for this compound.