CID 64137242

2,2-dimethyloxane-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
CC1(CC(CCO1)S(=O)(=O)Cl)C
InChI
InChI=1S/C7H13ClO3S/c1-7(2)5-6(3-4-11-7)12(8,9)10/h6H,3-5H2,1-2H3
InChIKey
HDXLCXFLJNOPCN-UHFFFAOYSA-N
Compound name
2,2-dimethyloxane-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

212.02739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.034666 138.1
[M+Na]+ 235.016608 146.4
[M-H]- 211.020114 142.7
[M+NH4]+ 230.061213 159.1
[M+K]+ 250.990548 145.1
[M+H-H2O]+ 195.024650 135.4
[M+HCOO]- 257.025591 148.0
[M+CH3COO]- 271.041241 179.6
[M+Na-2H]- 233.002056 143.7
[M]+ 212.02684142 140.8
[M]- 212.02793858 140.8
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

patents stripe