CID 155970647

(2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H15ClO4S
SMILES
CC1(COCC(O1)(C)CS(=O)(=O)Cl)C
InChI
InChI=1S/C8H15ClO4S/c1-7(2)4-12-5-8(3,13-7)6-14(9,10)11/h4-6H2,1-3H3
InChIKey
GMDXSYBLEHLEDR-UHFFFAOYSA-N
Compound name
(2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03796 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04524 141.7
[M+Na]+ 265.02718 150.3
[M-H]- 241.03068 147.0
[M+NH4]+ 260.07178 162.1
[M+K]+ 281.00112 150.7
[M+H-H2O]+ 225.03522 139.9
[M+HCOO]- 287.03616 150.8
[M+CH3COO]- 301.05181 184.7
[M+Na-2H]- 263.01263 149.9
[M]+ 242.03741 147.2
[M]- 242.03851 147.2
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.