CID 86775610

2-(oxan-4-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
C1COCCC1CCS(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO3S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h7H,1-6H2
InChIKey
JSHCTCDANFZBLV-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)ethanesulfonyl 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 141.0
[M+Na]+ 235.01661 147.7
[M-H]- 211.02011 144.9
[M+NH4]+ 230.06121 159.6
[M+K]+ 250.99055 145.9
[M+H-H2O]+ 195.02465 136.9
[M+HCOO]- 257.02559 150.9
[M+CH3COO]- 271.04124 178.8
[M+Na-2H]- 233.00206 145.4
[M]+ 212.02684 142.9
[M]- 212.02794 142.9
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.