CID 138040206

2247106-83-6

Structural Information

Molecular Formula
C8H13ClO3S
SMILES
C1CC2CC(C1)(CO2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO3S/c9-13(10,11)6-8-3-1-2-7(4-8)12-5-8/h7H,1-6H2
InChIKey
MRGPTHLPJFYIJM-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.2.1]octan-1-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03467 144.9
[M+Na]+ 247.01661 153.1
[M-H]- 223.02011 148.3
[M+NH4]+ 242.06121 168.6
[M+K]+ 262.99055 151.2
[M+H-H2O]+ 207.02465 142.9
[M+HCOO]- 269.02559 153.5
[M+CH3COO]- 283.04124 180.4
[M+Na-2H]- 245.00206 151.5
[M]+ 224.02684 148.1
[M]- 224.02794 148.1
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

No patent data available for this compound.