CID 139026722

2361635-44-9

Structural Information

Molecular Formula
C9H15ClO5S
SMILES
COC(=O)C1(CCOCC1)CCS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO5S/c1-14-8(11)9(2-5-15-6-3-9)4-7-16(10,12)13/h2-7H2,1H3
InChIKey
PUSLVANRWARYAY-UHFFFAOYSA-N
Compound name
methyl 4-(2-chlorosulfonylethyl)oxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.03287 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04015 152.4
[M+Na]+ 293.02209 158.7
[M-H]- 269.02559 156.2
[M+NH4]+ 288.06669 170.4
[M+K]+ 308.99603 157.8
[M+H-H2O]+ 253.03013 149.0
[M+HCOO]- 315.03107 161.4
[M+CH3COO]- 329.04672 187.9
[M+Na-2H]- 291.00754 157.2
[M]+ 270.03232 157.1
[M]- 270.03342 157.1
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.