CID 131007613

1851602-43-1

Structural Information

Molecular Formula
C7H11ClO3S
SMILES
C1CC2C(CC1O2)CS(=O)(=O)Cl
InChI
InChI=1S/C7H11ClO3S/c8-12(9,10)4-5-3-6-1-2-7(5)11-6/h5-7H,1-4H2
InChIKey
MTEBSNPFKJDLEU-UHFFFAOYSA-N
Compound name
7-oxabicyclo[2.2.1]heptan-2-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.01175 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01903 145.0
[M+Na]+ 233.00097 154.7
[M-H]- 209.00447 149.1
[M+NH4]+ 228.04557 169.4
[M+K]+ 248.97491 153.0
[M+H-H2O]+ 193.00901 143.5
[M+HCOO]- 255.00995 156.0
[M+CH3COO]- 269.02560 179.1
[M+Na-2H]- 230.98642 148.3
[M]+ 210.01120 150.0
[M]- 210.01230 150.0
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.