CID 138991318

2309463-22-5

Structural Information

Molecular Formula
C9H15ClO3S
SMILES
CC12CCCC(C1)(CO2)CS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO3S/c1-8-3-2-4-9(5-8,6-13-8)7-14(10,11)12/h2-7H2,1H3
InChIKey
GCUJVJFDBISCIB-UHFFFAOYSA-N
Compound name
(5-methyl-6-oxabicyclo[3.2.1]octan-1-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04305 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05033 147.8
[M+Na]+ 261.03227 156.4
[M-H]- 237.03577 151.2
[M+NH4]+ 256.07687 172.9
[M+K]+ 277.00621 154.4
[M+H-H2O]+ 221.04031 146.4
[M+HCOO]- 283.04125 156.1
[M+CH3COO]- 297.05690 183.2
[M+Na-2H]- 259.01772 155.5
[M]+ 238.04250 151.8
[M]- 238.04360 151.8
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.