CID 3574807

3-methylquinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
CC1=CC2=C(C(=CC=C2)S(=O)(=O)Cl)N=C1
InChI
InChI=1S/C10H8ClNO2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-6H,1H3
InChIKey
XCMAYGDQKTWICK-UHFFFAOYSA-N
Compound name
3-methylquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

240.99643 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.003706 145.9
[M+Na]+ 263.985648 157.8
[M-H]- 239.989154 150.1
[M+NH4]+ 259.030253 165.1
[M+K]+ 279.959588 152.7
[M+H-H2O]+ 223.993690 140.9
[M+HCOO]- 285.994631 158.2
[M+CH3COO]- 300.010281 187.1
[M+Na-2H]- 261.971096 152.7
[M]+ 240.99588142 151.4
[M]- 240.99697858 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