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

16
Patents

240.99643 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00371 148.1
[M+Na]+ 263.98565 163.0
[M+NH4]+ 259.03025 157.3
[M+K]+ 279.95959 153.6
[M-H]- 239.98915 150.0
[M+Na-2H]- 261.97110 155.5
[M]+ 240.99588 151.7
[M]- 240.99698 151.7
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