CID 138040789

2243505-02-2

Structural Information

Molecular Formula
C7H11ClO3S
SMILES
C1CC2(CC1CO2)CS(=O)(=O)Cl
InChI
InChI=1S/C7H11ClO3S/c8-12(9,10)5-7-2-1-6(3-7)4-11-7/h6H,1-5H2
InChIKey
AOMWQPWBKMEPBH-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.2.1]heptan-1-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.01175 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01903 144.0
[M+Na]+ 233.00097 153.7
[M-H]- 209.00447 148.0
[M+NH4]+ 228.04557 170.1
[M+K]+ 248.97491 152.0
[M+H-H2O]+ 193.00901 143.0
[M+HCOO]- 255.00995 155.1
[M+CH3COO]- 269.02560 177.5
[M+Na-2H]- 230.98642 149.5
[M]+ 210.01120 149.0
[M]- 210.01230 149.0
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.