CID 138040813

2247103-47-3

Structural Information

Molecular Formula
C9H15ClO3S
SMILES
CC12CCC(CC1)(OC2)CS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO3S/c1-8-2-4-9(5-3-8,13-6-8)7-14(10,11)12/h2-7H2,1H3
InChIKey
RGJMEDRAUHVUSO-UHFFFAOYSA-N
Compound name
(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04305 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05033 148.3
[M+Na]+ 261.03227 154.9
[M-H]- 237.03577 145.7
[M+NH4]+ 256.07687 174.2
[M+K]+ 277.00621 153.5
[M+H-H2O]+ 221.04031 146.5
[M+HCOO]- 283.04125 149.7
[M+CH3COO]- 297.05690 159.1
[M+Na-2H]- 259.01772 162.4
[M]+ 238.04250 155.7
[M]- 238.04360 155.7
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.