CID 2794709

4-(2-methoxyphenoxy)benzenesulfonyl chloride

Structural Information

Molecular Formula
C13H11ClO4S
SMILES
COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H11ClO4S/c1-17-12-4-2-3-5-13(12)18-10-6-8-11(9-7-10)19(14,15)16/h2-9H,1H3
InChIKey
DKNWPXFCLUKCQB-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

298.00665 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01393 162.5
[M+Na]+ 320.99587 177.5
[M+NH4]+ 316.04047 170.8
[M+K]+ 336.96981 168.5
[M-H]- 296.99937 165.9
[M+Na-2H]- 318.98132 171.2
[M]+ 298.00610 166.6
[M]- 298.00720 166.6
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