CID 22665753

4-(oxan-4-yloxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H13ClO4S
SMILES
C1COCCC1OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO4S/c12-17(13,14)11-3-1-9(2-4-11)16-10-5-7-15-8-6-10/h1-4,10H,5-8H2
InChIKey
ZOHSCBXEKHQRRV-UHFFFAOYSA-N
Compound name
4-(oxan-4-yloxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

276.0223 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02958 155.3
[M+Na]+ 299.01152 162.7
[M-H]- 275.01502 162.6
[M+NH4]+ 294.05612 171.2
[M+K]+ 314.98546 160.1
[M+H-H2O]+ 259.01956 149.8
[M+HCOO]- 321.02050 165.8
[M+CH3COO]- 335.03615 189.8
[M+Na-2H]- 296.99697 160.0
[M]+ 276.02175 158.2
[M]- 276.02285 158.2
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