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

9
Patents

271.007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.014276 153.6
[M+Na]+ 293.996218 164.9
[M-H]- 269.999724 157.6
[M+NH4]+ 289.040823 171.5
[M+K]+ 309.970158 160.1
[M+H-H2O]+ 254.004260 148.2
[M+HCOO]- 316.005201 165.9
[M+CH3COO]- 330.020851 192.2
[M+Na-2H]- 291.981666 160.2
[M]+ 271.00645142 160.9
[M]- 271.00754858 160.9
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