CID 75480672

(4-cyanooxan-4-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H10ClNO3S
SMILES
C1COCCC1(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C7H10ClNO3S/c8-13(10,11)6-7(5-9)1-3-12-4-2-7/h1-4,6H2
InChIKey
XJVUCKURRXVYJL-UHFFFAOYSA-N
Compound name
(4-cyanooxan-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00699 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01427 139.5
[M+Na]+ 245.99621 149.3
[M+NH4]+ 241.04081 145.2
[M+K]+ 261.97015 138.8
[M-H]- 221.99971 133.7
[M+Na-2H]- 243.98166 142.6
[M]+ 223.00644 139.1
[M]- 223.00754 139.1
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.