CID 135687102

2(1h)-quinolinone, 3-(4-chlorobenzoyl)-4-hydroxy-

Structural Information

Molecular Formula
C16H10ClNO3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H10ClNO3/c17-10-7-5-9(6-8-10)14(19)13-15(20)11-3-1-2-4-12(11)18-16(13)21/h1-8H,(H2,18,20,21)
InChIKey
NFFVEOJGJPIIRZ-UHFFFAOYSA-N
Compound name
3-(4-chlorobenzoyl)-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

299.0349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.042176 162.7
[M+Na]+ 322.024118 173.4
[M-H]- 298.027624 167.1
[M+NH4]+ 317.068723 177.2
[M+K]+ 337.998058 166.2
[M+H-H2O]+ 282.032160 155.7
[M+HCOO]- 344.033101 177.2
[M+CH3COO]- 358.048751 174.3
[M+Na-2H]- 320.009566 167.6
[M]+ 299.03435142 164.3
[M]- 299.03544858 164.3
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

patents stripe