CID 53404072

4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CC1(CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C11H12ClNO3S/c1-11(2)6-10(14)13-9-4-3-7(5-8(9)11)17(12,15)16/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
GUURRPCXJZJTBL-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.02264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02992 153.7
[M+Na]+ 296.01186 164.3
[M-H]- 272.01536 156.0
[M+NH4]+ 291.05646 172.8
[M+K]+ 311.98580 158.9
[M+H-H2O]+ 256.01990 149.9
[M+HCOO]- 318.02084 161.7
[M+CH3COO]- 332.03649 190.3
[M+Na-2H]- 293.99731 159.0
[M]+ 273.02209 156.5
[M]- 273.02319 156.5
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