CID 4988737

3-(4-methoxyphenyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C13H11ClO3S
SMILES
COC1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H11ClO3S/c1-17-12-7-5-10(6-8-12)11-3-2-4-13(9-11)18(14,15)16/h2-9H,1H3
InChIKey
ONPBVDQBERKQFO-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

282.01175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01903 159.6
[M+Na]+ 305.00097 175.1
[M+NH4]+ 300.04557 168.5
[M+K]+ 320.97491 165.5
[M-H]- 281.00447 163.5
[M+Na-2H]- 302.98642 168.7
[M]+ 282.01120 163.9
[M]- 282.01230 163.9
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