CID 137935715

2167300-93-6

Structural Information

Molecular Formula
C9H9ClO4S
SMILES
C1COC(O1)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO4S/c10-15(11,12)8-3-1-2-7(6-8)9-13-4-5-14-9/h1-3,6,9H,4-5H2
InChIKey
DSAHBGYMTHNBTC-UHFFFAOYSA-N
Compound name
3-(1,3-dioxolan-2-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.99101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99829 148.8
[M+Na]+ 270.98023 158.4
[M-H]- 246.98373 157.6
[M+NH4]+ 266.02483 166.7
[M+K]+ 286.95417 157.2
[M+H-H2O]+ 230.98827 144.9
[M+HCOO]- 292.98921 161.4
[M+CH3COO]- 307.00486 183.6
[M+Na-2H]- 268.96568 153.5
[M]+ 247.99046 153.8
[M]- 247.99156 153.8
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.