CID 135770356

125629-23-4

Structural Information

Molecular Formula
C14H8ClN3O5
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CC(=C(C(=C3Cl)O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H8ClN3O5/c15-10-6(5-9(18(22)23)12(19)13(10)20)11-14(21)17-8-4-2-1-3-7(8)16-11/h1-5,19-20H,(H,17,21)
InChIKey
QZNQPUPLOHPCDE-UHFFFAOYSA-N
Compound name
3-(2-chloro-3,4-dihydroxy-5-nitrophenyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.01526 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.02254 167.9
[M+Na]+ 356.00448 177.8
[M-H]- 332.00798 170.2
[M+NH4]+ 351.04908 178.1
[M+K]+ 371.97842 167.2
[M+H-H2O]+ 316.01252 164.8
[M+HCOO]- 378.01346 181.7
[M+CH3COO]- 392.02911 195.8
[M+Na-2H]- 353.98993 175.2
[M]+ 333.01471 168.1
[M]- 333.01581 168.1
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.