CID 2474238

851721-90-9

Structural Information

Molecular Formula
C12H14ClNO3S
SMILES
CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CCl
InChI
InChI=1S/C12H14ClNO3S/c1-18(16,17)14-6-2-3-9-7-10(12(15)8-13)4-5-11(9)14/h4-5,7H,2-3,6,8H2,1H3
InChIKey
XODMWNSSCCESPB-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0383 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04558 160.4
[M+Na]+ 310.02752 172.6
[M+NH4]+ 305.07212 168.2
[M+K]+ 326.00146 164.7
[M-H]- 286.03102 160.9
[M+Na-2H]- 308.01297 164.6
[M]+ 287.03775 163.0
[M]- 287.03885 163.0
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.