CID 22674108

Quinoline-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H6ClNO2S
SMILES
C1=CC=C2C(=C1)C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChIKey
VSAXLHSQUHPTCS-UHFFFAOYSA-N
Compound name
quinoline-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

226.98077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.98805 141.6
[M+Na]+ 249.96999 153.2
[M-H]- 225.97349 145.7
[M+NH4]+ 245.01459 161.1
[M+K]+ 265.94393 148.2
[M+H-H2O]+ 209.97803 136.6
[M+HCOO]- 271.97897 154.4
[M+CH3COO]- 285.99462 183.0
[M+Na-2H]- 247.95544 149.6
[M]+ 226.98022 146.4
[M]- 226.98132 146.4
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