CID 137935479

2248324-39-0

Structural Information

Molecular Formula
C8H13ClO3S
SMILES
CC12CCC(C1)(OC2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO3S/c1-7-2-3-8(4-7,12-5-7)6-13(9,10)11/h2-6H2,1H3
InChIKey
RXSNKXYHIZMYRV-UHFFFAOYSA-N
Compound name
(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methanesulfonyl 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 145.8
[M+Na]+ 247.01661 153.9
[M+NH4]+ 242.06121 157.2
[M+K]+ 262.99055 147.2
[M-H]- 223.02011 145.6
[M+Na-2H]- 245.00206 149.2
[M]+ 224.02684 147.8
[M]- 224.02794 147.8
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.