CID 122163366

3-(oxolan-3-yl)propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
C1COCC1CCCS(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO3S/c8-12(9,10)5-1-2-7-3-4-11-6-7/h7H,1-6H2
InChIKey
DXMARWMNQCLLNK-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03467 144.1
[M+Na]+ 235.01661 151.9
[M-H]- 211.02011 148.3
[M+NH4]+ 230.06121 164.6
[M+K]+ 250.99055 150.0
[M+H-H2O]+ 195.02465 140.4
[M+HCOO]- 257.02559 156.0
[M+CH3COO]- 271.04124 178.5
[M+Na-2H]- 233.00206 147.0
[M]+ 212.02684 148.0
[M]- 212.02794 148.0
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.