CID 54693792

Nsc13353

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
CC(=O)C1=C(C2=C(C=C(C=C2)Cl)NC1=O)O
InChI
InChI=1S/C11H8ClNO3/c1-5(14)9-10(15)7-3-2-6(12)4-8(7)13-11(9)16/h2-4H,1H3,(H2,13,15,16)
InChIKey
TYRYELYDRDPCOM-UHFFFAOYSA-N
Compound name
3-acetyl-7-chloro-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

237.01927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.026546 144.6
[M+Na]+ 260.008488 156.3
[M-H]- 236.011994 146.2
[M+NH4]+ 255.053093 162.3
[M+K]+ 275.982428 150.6
[M+H-H2O]+ 220.016530 139.7
[M+HCOO]- 282.017471 159.5
[M+CH3COO]- 296.033121 186.5
[M+Na-2H]- 257.993936 149.8
[M]+ 237.01872142 146.9
[M]- 237.01981858 146.9
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

patents stripe