CID 18072865

4-(3-chlorophenoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H8Cl2O3S
SMILES
C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H8Cl2O3S/c13-9-2-1-3-11(8-9)17-10-4-6-12(7-5-10)18(14,15)16/h1-8H
InChIKey
JNMIOFCTTBBMJG-UHFFFAOYSA-N
Compound name
4-(3-chlorophenoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.95712 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96440 158.5
[M+Na]+ 324.94634 169.7
[M-H]- 300.94984 165.9
[M+NH4]+ 319.99094 175.7
[M+K]+ 340.92028 163.6
[M+H-H2O]+ 284.95438 153.7
[M+HCOO]- 346.95532 168.4
[M+CH3COO]- 360.97097 195.3
[M+Na-2H]- 322.93179 163.0
[M]+ 301.95657 165.5
[M]- 301.95767 165.5
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

No patent data available for this compound.