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

44
Patents

298.00665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01393 160.8
[M+Na]+ 320.99587 171.1
[M-H]- 296.99937 168.6
[M+NH4]+ 316.04047 177.6
[M+K]+ 336.96981 166.4
[M+H-H2O]+ 281.00391 154.8
[M+HCOO]- 343.00485 175.6
[M+CH3COO]- 357.02050 195.8
[M+Na-2H]- 318.98132 165.6
[M]+ 298.00610 168.5
[M]- 298.00720 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