CID 138991376

2309456-59-3

Structural Information

Molecular Formula
C6H9ClO4S
SMILES
COC(=O)C(C1CC1)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO4S/c1-11-6(8)5(4-2-3-4)12(7,9)10/h4-5H,2-3H2,1H3
InChIKey
GUBMBSUHMRKOIQ-UHFFFAOYSA-N
Compound name
methyl 2-chlorosulfonyl-2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.99101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99829 135.6
[M+Na]+ 234.98023 145.1
[M-H]- 210.98373 140.5
[M+NH4]+ 230.02483 150.7
[M+K]+ 250.95417 142.0
[M+H-H2O]+ 194.98827 131.2
[M+HCOO]- 256.98921 148.1
[M+CH3COO]- 271.00486 183.3
[M+Na-2H]- 232.96568 138.5
[M]+ 211.99046 143.6
[M]- 211.99156 143.6
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.