CID 510568

7-chloro-1,4-dihydroxy-3-methylquinoxalin-2-yl phenyl ketone

Structural Information

Molecular Formula
C16H11ClN2O3
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H11ClN2O3/c1-10-15(16(20)11-5-3-2-4-6-11)19(22)14-9-12(17)7-8-13(14)18(10)21/h2-9H,1H3
InChIKey
NZOULLLNWXMBSR-UHFFFAOYSA-N
Compound name
(7-chloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0458 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05308 169.0
[M+Na]+ 337.03502 179.6
[M-H]- 313.03852 173.2
[M+NH4]+ 332.07962 181.7
[M+K]+ 353.00896 168.7
[M+H-H2O]+ 297.04306 165.1
[M+HCOO]- 359.04400 183.7
[M+CH3COO]- 373.05965 196.1
[M+Na-2H]- 335.02047 175.4
[M]+ 314.04525 170.8
[M]- 314.04635 170.8
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.