CID 24813838

246033-22-7

Structural Information

Molecular Formula
C8H7ClO4S
SMILES
CC1=CC2=C(C=C1S(=O)(=O)Cl)OCO2
InChI
InChI=1S/C8H7ClO4S/c1-5-2-6-7(13-4-12-6)3-8(5)14(9,10)11/h2-3H,4H2,1H3
InChIKey
XDFACGYICDTWAH-UHFFFAOYSA-N
Compound name
6-methyl-1,3-benzodioxole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.97536 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.982636 143.3
[M+Na]+ 256.964578 155.1
[M-H]- 232.968084 150.5
[M+NH4]+ 252.009183 163.4
[M+K]+ 272.938518 154.0
[M+H-H2O]+ 216.972620 140.6
[M+HCOO]- 278.973561 155.9
[M+CH3COO]- 292.989211 183.2
[M+Na-2H]- 254.950026 149.7
[M]+ 233.97481142 151.1
[M]- 233.97590858 151.1
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