CID 15729649

3-(benzyloxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C13H11ClO3S
SMILES
C1=CC=C(C=C1)COC2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H11ClO3S/c14-18(15,16)13-8-4-7-12(9-13)17-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
SCIWWDGQCBSSMB-UHFFFAOYSA-N
Compound name
3-phenylmethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

282.01175 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01903 159.5
[M+Na]+ 305.00097 174.6
[M+NH4]+ 300.04557 168.4
[M+K]+ 320.97491 164.9
[M-H]- 281.00447 163.3
[M+Na-2H]- 302.98642 168.9
[M]+ 282.01120 163.7
[M]- 282.01230 163.7
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