CID 132398925

Rac-(1r,2r)-1-(methoxymethyl)-2-methylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO3S
SMILES
C[C@H]1C[C@]1(COC)S(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO3S/c1-5-3-6(5,4-10-2)11(7,8)9/h5H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKey
JSRZGBQHGYSMSG-NTSWFWBYSA-N
Compound name
(1S,2S)-1-(methoxymethyl)-2-methylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.01175 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01903 133.6
[M+Na]+ 221.00097 144.7
[M-H]- 197.00447 138.9
[M+NH4]+ 216.04557 151.5
[M+K]+ 236.97491 141.9
[M+H-H2O]+ 181.00901 130.6
[M+HCOO]- 243.00995 147.1
[M+CH3COO]- 257.02560 182.0
[M+Na-2H]- 218.98642 139.1
[M]+ 198.01120 142.7
[M]- 198.01230 142.7
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.