CID 60746845

8-(benzyloxy)quinoline-5-sulfonyl chloride

Structural Information

Molecular Formula
C16H12ClNO3S
SMILES
C1=CC=C(C=C1)COC2=C3C(=C(C=C2)S(=O)(=O)Cl)C=CC=N3
InChI
InChI=1S/C16H12ClNO3S/c17-22(19,20)15-9-8-14(16-13(15)7-4-10-18-16)21-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKey
AUDWAMZRFOGIRV-UHFFFAOYSA-N
Compound name
8-phenylmethoxyquinoline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

333.02264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.029916 171.6
[M+Na]+ 356.011858 182.1
[M-H]- 332.015364 178.4
[M+NH4]+ 351.056463 186.4
[M+K]+ 371.985798 175.9
[M+H-H2O]+ 316.019900 164.3
[M+HCOO]- 378.020841 183.7
[M+CH3COO]- 392.036491 183.3
[M+Na-2H]- 353.997306 178.2
[M]+ 333.02209142 178.2
[M]- 333.02318858 178.2
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