CID 112639727

Quinolin-5-ylmethanesulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
C1=CC(=C2C=CC=NC2=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C10H8ClNO2S/c11-15(13,14)7-8-3-1-5-10-9(8)4-2-6-12-10/h1-6H,7H2
InChIKey
APBDBCASISPBNS-UHFFFAOYSA-N
Compound name
quinolin-5-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 146.2
[M+Na]+ 263.98565 157.3
[M-H]- 239.98915 150.0
[M+NH4]+ 259.03025 165.1
[M+K]+ 279.95959 152.1
[M+H-H2O]+ 223.99369 140.9
[M+HCOO]- 285.99463 158.6
[M+CH3COO]- 300.01028 185.9
[M+Na-2H]- 261.97110 153.7
[M]+ 240.99588 151.3
[M]- 240.99698 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

No patent data available for this compound.