CID 138040171

2243513-80-4

Structural Information

Molecular Formula
C8H13ClO3S
SMILES
CC12CCC(C1)(CO2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO3S/c1-7-2-3-8(4-7,5-12-7)6-13(9,10)11/h2-6H2,1H3
InChIKey
BPAAODAEYSARNX-UHFFFAOYSA-N
Compound name
(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.034666 146.5
[M+Na]+ 247.016608 156.6
[M-H]- 223.020114 150.5
[M+NH4]+ 242.061213 173.9
[M+K]+ 262.990548 154.7
[M+H-H2O]+ 207.024650 146.1
[M+HCOO]- 269.025591 157.2
[M+CH3COO]- 283.041241 180.3
[M+Na-2H]- 245.002056 153.2
[M]+ 224.02684142 152.2
[M]- 224.02793858 152.2
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.