CID 64999859

3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO3S
SMILES
CC(C)(COC)CS(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO3S/c1-6(2,4-10-3)5-11(7,8)9/h4-5H2,1-3H3
InChIKey
DSTJTVGITHHAPY-UHFFFAOYSA-N
Compound name
3-methoxy-2,2-dimethylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.034666 138.9
[M+Na]+ 223.016608 147.8
[M-H]- 199.020114 140.0
[M+NH4]+ 218.061213 159.7
[M+K]+ 238.990548 145.4
[M+H-H2O]+ 183.024650 135.9
[M+HCOO]- 245.025591 150.8
[M+CH3COO]- 259.041241 179.9
[M+Na-2H]- 221.002056 143.7
[M]+ 200.02684142 145.8
[M]- 200.02793858 145.8
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.