CID 2794710

4-(2-chlorophenoxy)benzenesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

301.95712 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.964396 158.5
[M+Na]+ 324.946338 169.7
[M-H]- 300.949844 165.9
[M+NH4]+ 319.990943 175.7
[M+K]+ 340.920278 163.6
[M+H-H2O]+ 284.954380 153.7
[M+HCOO]- 346.955321 168.4
[M+CH3COO]- 360.970971 195.3
[M+Na-2H]- 322.931786 163.0
[M]+ 301.95657142 165.5
[M]- 301.95766858 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

patents stripe