CID 14224770

8-methylquinoline-5-sulfonyl chloride

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
CC1=C2C(=C(C=C1)S(=O)(=O)Cl)C=CC=N2
InChI
InChI=1S/C10H8ClNO2S/c1-7-4-5-9(15(11,13)14)8-3-2-6-12-10(7)8/h2-6H,1H3
InChIKey
JQSKUQBKUDCALN-UHFFFAOYSA-N
Compound name
8-methylquinoline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.99643 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe