CID 43209600

Quinolin-8-ylmethanesulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
C1=CC2=C(C(=C1)CS(=O)(=O)Cl)N=CC=C2
InChI
InChI=1S/C10H8ClNO2S/c11-15(13,14)7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2
InChIKey
KITMQFZBBDMWFX-UHFFFAOYSA-N
Compound name
quinolin-8-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

240.99643 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.003706 146.2
[M+Na]+ 263.985648 157.3
[M-H]- 239.989154 150.0
[M+NH4]+ 259.030253 165.1
[M+K]+ 279.959588 152.1
[M+H-H2O]+ 223.993690 140.9
[M+HCOO]- 285.994631 158.6
[M+CH3COO]- 300.010281 185.9
[M+Na-2H]- 261.971096 153.7
[M]+ 240.99588142 151.3
[M]- 240.99697858 151.3
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