CID 24257290

1017125-38-0

Structural Information

Molecular Formula
C9H9ClO4S
SMILES
C1OC2=C(O1)C=C(C=C2)CCS(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO4S/c10-15(11,12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-2,5H,3-4,6H2
InChIKey
QARVHGABHYYJGL-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.99101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99829 148.3
[M+Na]+ 270.98023 158.9
[M-H]- 246.98373 154.9
[M+NH4]+ 266.02483 167.6
[M+K]+ 286.95417 157.5
[M+H-H2O]+ 230.98827 145.2
[M+HCOO]- 292.98921 160.6
[M+CH3COO]- 307.00486 185.0
[M+Na-2H]- 268.96568 154.8
[M]+ 247.99046 156.0
[M]- 247.99156 156.0
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.