CID 116416926

5-ethoxyquinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C11H10ClNO3S
SMILES
CCOC1=C2C=CC=NC2=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H10ClNO3S/c1-2-16-9-5-6-10(17(12,14)15)11-8(9)4-3-7-13-11/h3-7H,2H2,1H3
InChIKey
PHTVQIDPLVHETJ-UHFFFAOYSA-N
Compound name
5-ethoxyquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

271.007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.01428 155.8
[M+Na]+ 293.99622 170.4
[M+NH4]+ 289.04082 164.2
[M+K]+ 309.97016 161.5
[M-H]- 269.99972 157.2
[M+Na-2H]- 291.98167 162.3
[M]+ 271.00645 159.1
[M]- 271.00755 159.1
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

patents stripe