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]+ 249.03467 147.8
[M+Na]+ 271.01661 158.8
[M-H]- 247.02011 152.7
[M+NH4]+ 266.06121 167.4
[M+K]+ 286.99055 154.7
[M+H-H2O]+ 231.02465 143.7
[M+HCOO]- 293.02559 161.7
[M+CH3COO]- 307.04124 190.2
[M+Na-2H]- 269.00206 150.7
[M]+ 248.02684 155.7
[M]- 248.02794 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.