CID 131150401

1936003-12-1

Structural Information

Molecular Formula
C7H9ClO4S
SMILES
C1CC12CC(OC2=O)CS(=O)(=O)Cl
InChI
InChI=1S/C7H9ClO4S/c8-13(10,11)4-5-3-7(1-2-7)6(9)12-5/h5H,1-4H2
InChIKey
CMEMPZBKPZFSGU-UHFFFAOYSA-N
Compound name
(4-oxo-5-oxaspiro[2.4]heptan-6-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.99101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99829 140.1
[M+Na]+ 246.98023 151.4
[M-H]- 222.98373 147.7
[M+NH4]+ 242.02483 157.6
[M+K]+ 262.95417 149.3
[M+H-H2O]+ 206.98827 137.5
[M+HCOO]- 268.98921 152.0
[M+CH3COO]- 283.00486 182.7
[M+Na-2H]- 244.96568 145.5
[M]+ 223.99046 147.5
[M]- 223.99156 147.5
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.