CID 58170410

4-chloro-6-(methylsulfonyl)quinoline

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
CS(=O)(=O)C1=CC2=C(C=CN=C2C=C1)Cl
InChI
InChI=1S/C10H8ClNO2S/c1-15(13,14)7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKey
KJVKESYMVCSYLW-UHFFFAOYSA-N
Compound name
4-chloro-6-methylsulfonylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

240.99643 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00371 145.9
[M+Na]+ 263.98565 157.8
[M-H]- 239.98915 150.1
[M+NH4]+ 259.03025 165.1
[M+K]+ 279.95959 152.7
[M+H-H2O]+ 223.99369 140.9
[M+HCOO]- 285.99463 158.2
[M+CH3COO]- 300.01028 187.1
[M+Na-2H]- 261.97110 152.7
[M]+ 240.99588 151.4
[M]- 240.99698 151.4
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

patents stripe