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

15
Patents

333.02264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.02992 171.6
[M+Na]+ 356.01186 182.1
[M-H]- 332.01536 178.4
[M+NH4]+ 351.05646 186.4
[M+K]+ 371.98580 175.9
[M+H-H2O]+ 316.01990 164.3
[M+HCOO]- 378.02084 183.7
[M+CH3COO]- 392.03649 183.3
[M+Na-2H]- 353.99731 178.2
[M]+ 333.02209 178.2
[M]- 333.02319 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