CID 131556808

2090008-28-7

Structural Information

Molecular Formula
C14H18ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C14H18ClNO4S/c1-14(2,3)20-13(17)16-9-5-6-10-11(16)7-4-8-12(10)21(15,18)19/h4,7-8H,5-6,9H2,1-3H3
InChIKey
WJTMZJPFQCLNBL-UHFFFAOYSA-N
Compound name
tert-butyl 5-chlorosulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0645 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07178 173.4
[M+Na]+ 354.05372 184.2
[M+NH4]+ 349.09832 179.9
[M+K]+ 370.02766 177.7
[M-H]- 330.05722 172.6
[M+Na-2H]- 352.03917 176.6
[M]+ 331.06395 175.4
[M]- 331.06505 175.4
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.