CID 137963751

(2-phenyloxolan-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C11H13ClO3S
SMILES
C1CC(OC1)(CS(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C11H13ClO3S/c12-16(13,14)9-11(7-4-8-15-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
NYEVMVHDWNNEBO-UHFFFAOYSA-N
Compound name
(2-phenyloxolan-2-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0274 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03468 154.6
[M+Na]+ 283.01662 163.3
[M-H]- 259.02012 162.2
[M+NH4]+ 278.06122 175.0
[M+K]+ 298.99056 160.3
[M+H-H2O]+ 243.02466 150.6
[M+HCOO]- 305.02560 167.1
[M+CH3COO]- 319.04125 185.6
[M+Na-2H]- 281.00207 159.4
[M]+ 260.02685 158.2
[M]- 260.02795 158.2
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.