CID 287593

66820-85-7

Structural Information

Molecular Formula
C16H14ClNO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C3=C2C=C(C=C3)Cl
InChI
InChI=1S/C16H14ClNO3S/c1-11-2-5-13(6-3-11)22(20,21)18-9-8-16(19)14-7-4-12(17)10-15(14)18/h2-7,10H,8-9H2,1H3
InChIKey
ARVPKFVFFOOGKT-UHFFFAOYSA-N
Compound name
7-chloro-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

335.0383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.04558 172.5
[M+Na]+ 358.02752 182.8
[M-H]- 334.03102 179.2
[M+NH4]+ 353.07212 187.5
[M+K]+ 374.00146 176.5
[M+H-H2O]+ 318.03556 165.7
[M+HCOO]- 380.03650 181.8
[M+CH3COO]- 394.05215 205.4
[M+Na-2H]- 356.01297 175.9
[M]+ 335.03775 176.5
[M]- 335.03885 176.5
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