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

12
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 153.6
[M+Na]+ 293.99622 164.9
[M-H]- 269.99972 157.6
[M+NH4]+ 289.04082 171.5
[M+K]+ 309.97016 160.1
[M+H-H2O]+ 254.00426 148.2
[M+HCOO]- 316.00520 165.9
[M+CH3COO]- 330.02085 192.2
[M+Na-2H]- 291.98167 160.2
[M]+ 271.00645 160.9
[M]- 271.00755 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