CID 43134350

1094296-27-1

Structural Information

Molecular Formula
C10H13ClO3S
SMILES
CCOC1=C(C(=C(C=C1)S(=O)(=O)Cl)C)C
InChI
InChI=1S/C10H13ClO3S/c1-4-14-9-5-6-10(15(11,12)13)8(3)7(9)2/h5-6H,4H2,1-3H3
InChIKey
LWHPNBNEGVCNHG-UHFFFAOYSA-N
Compound name
4-ethoxy-2,3-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.02739 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.034666 147.8
[M+Na]+ 271.016608 158.8
[M-H]- 247.020114 152.7
[M+NH4]+ 266.061213 167.4
[M+K]+ 286.990548 154.7
[M+H-H2O]+ 231.024650 143.7
[M+HCOO]- 293.025591 161.7
[M+CH3COO]- 307.041241 190.2
[M+Na-2H]- 269.002056 150.7
[M]+ 248.02684142 155.7
[M]- 248.02793858 155.7
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.