CID 55279117

(2,3-dihydro-1,4-benzodioxin-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C9H9ClO4S
SMILES
C1C(OC2=CC=CC=C2O1)CS(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO4S/c10-15(11,12)6-7-5-13-8-3-1-2-4-9(8)14-7/h1-4,7H,5-6H2
InChIKey
FPDPLSQAWVJKJD-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-3-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.99101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99829 145.2
[M+Na]+ 270.98023 154.6
[M-H]- 246.98373 151.5
[M+NH4]+ 266.02483 162.5
[M+K]+ 286.95417 153.4
[M+H-H2O]+ 230.98827 141.1
[M+HCOO]- 292.98921 155.4
[M+CH3COO]- 307.00486 185.5
[M+Na-2H]- 268.96568 153.5
[M]+ 247.99046 150.8
[M]- 247.99156 150.8
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.