CID 2794756

4-phenoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H9ClO3S
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H9ClO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H
InChIKey
QIZPONOMFWAPRR-UHFFFAOYSA-N
Compound name
4-phenoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

845
Patents

267.9961 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.003376 153.7
[M+Na]+ 290.985318 163.8
[M-H]- 266.988824 161.3
[M+NH4]+ 286.029923 171.5
[M+K]+ 306.959258 158.7
[M+H-H2O]+ 250.993360 147.9
[M+HCOO]- 312.994301 168.6
[M+CH3COO]- 327.009951 189.6
[M+Na-2H]- 288.970766 159.4
[M]+ 267.99555142 159.2
[M]- 267.99664858 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe