CID 113768466

5-(2-methoxyethoxy)quinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C12H12ClNO4S
SMILES
COCCOC1=C2C=CC=NC2=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C12H12ClNO4S/c1-17-7-8-18-10-4-5-11(19(13,15)16)12-9(10)3-2-6-14-12/h2-6H,7-8H2,1H3
InChIKey
AMSYIFPVINJKIO-UHFFFAOYSA-N
Compound name
5-(2-methoxyethoxy)quinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.01755 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02483 161.0
[M+Na]+ 324.00677 171.6
[M-H]- 300.01027 164.9
[M+NH4]+ 319.05137 177.6
[M+K]+ 339.98071 167.2
[M+H-H2O]+ 284.01481 155.2
[M+HCOO]- 346.01575 173.2
[M+CH3COO]- 360.03140 197.2
[M+Na-2H]- 321.99222 167.3
[M]+ 301.01700 170.1
[M]- 301.01810 170.1
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.