CID 62814685

3-(ethoxymethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO3S
SMILES
CCOCC1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H11ClO3S/c1-2-13-7-8-4-3-5-9(6-8)14(10,11)12/h3-6H,2,7H2,1H3
InChIKey
LZBJJNKGUOZJLT-UHFFFAOYSA-N
Compound name
3-(ethoxymethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.01175 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01903 148.1
[M+Na]+ 257.00097 160.9
[M+NH4]+ 252.04557 156.3
[M+K]+ 272.97491 152.6
[M-H]- 233.00447 149.1
[M+Na-2H]- 254.98642 154.0
[M]+ 234.01120 151.0
[M]- 234.01230 151.0
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

No patent data available for this compound.