CID 66739840

4-chloro-6-(isopropylsulfonyl)quinoline

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
CC(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1)Cl
InChI
InChI=1S/C12H12ClNO2S/c1-8(2)17(15,16)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-8H,1-2H3
InChIKey
PYDUKQUSDCEIFR-UHFFFAOYSA-N
Compound name
4-chloro-6-propan-2-ylsulfonylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.02774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 154.1
[M+Na]+ 292.01696 164.8
[M-H]- 268.02046 158.1
[M+NH4]+ 287.06156 172.1
[M+K]+ 307.99090 159.7
[M+H-H2O]+ 252.02500 148.9
[M+HCOO]- 314.02594 164.8
[M+CH3COO]- 328.04159 193.9
[M+Na-2H]- 290.00241 159.0
[M]+ 269.02719 159.8
[M]- 269.02829 159.8
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