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 172.0
[M+Na]+ 356.01186 188.6
[M+NH4]+ 351.05646 180.8
[M+K]+ 371.98580 178.0
[M-H]- 332.01536 176.1
[M+Na-2H]- 353.99731 181.5
[M]+ 333.02209 176.6
[M]- 333.02319 176.6
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