CID 2474238

2-chloro-1-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one

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 158.7
[M+Na]+ 310.02752 167.3
[M-H]- 286.03102 161.8
[M+NH4]+ 305.07212 175.6
[M+K]+ 326.00146 162.7
[M+H-H2O]+ 270.03556 153.5
[M+HCOO]- 332.03650 166.9
[M+CH3COO]- 346.05215 195.8
[M+Na-2H]- 308.01297 162.0
[M]+ 287.03775 162.4
[M]- 287.03885 162.4
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.