CID 71695540

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

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CC1(CC2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O)C
InChI
InChI=1S/C11H12ClNO3S/c1-11(2)6-7-5-8(17(12,15)16)3-4-9(7)13-10(11)14/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
VUXLVVDLLQRTCD-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-oxo-1,4-dihydroquinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 156.9
[M+Na]+ 296.01186 169.5
[M+NH4]+ 291.05646 166.0
[M+K]+ 311.98580 159.9
[M-H]- 272.01536 157.0
[M+Na-2H]- 293.99731 162.5
[M]+ 273.02209 159.6
[M]- 273.02319 159.6
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

No patent data available for this compound.