CID 3678310

4-(4-methoxyphenoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C13H11ClO4S
SMILES
COC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H11ClO4S/c1-17-10-2-4-11(5-3-10)18-12-6-8-13(9-7-12)19(14,15)16/h2-9H,1H3
InChIKey
HDIKIJUPJYLXDH-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

298.00665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.013926 160.8
[M+Na]+ 320.995868 171.1
[M-H]- 296.999374 168.6
[M+NH4]+ 316.040473 177.6
[M+K]+ 336.969808 166.4
[M+H-H2O]+ 281.003910 154.8
[M+HCOO]- 343.004851 175.6
[M+CH3COO]- 357.020501 195.8
[M+Na-2H]- 318.981316 165.6
[M]+ 298.00610142 168.5
[M]- 298.00719858 168.5
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