CID 135687118

90208-60-9

Structural Information

Molecular Formula
C16H10ClNO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)O
InChI
InChI=1S/C16H10ClNO3/c17-10-6-7-12-11(8-10)15(20)13(16(21)18-12)14(19)9-4-2-1-3-5-9/h1-8H,(H2,18,20,21)
InChIKey
UHRUMFFSVJFFGW-UHFFFAOYSA-N
Compound name
3-benzoyl-6-chloro-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

299.0349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04218 162.7
[M+Na]+ 322.02412 173.4
[M-H]- 298.02762 167.1
[M+NH4]+ 317.06872 177.2
[M+K]+ 337.99806 166.2
[M+H-H2O]+ 282.03216 155.7
[M+HCOO]- 344.03310 177.2
[M+CH3COO]- 358.04875 174.3
[M+Na-2H]- 320.00957 167.6
[M]+ 299.03435 164.3
[M]- 299.03545 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