CID 16641362

914203-23-9

Structural Information

Molecular Formula
C11H13ClO3S
SMILES
C1CCC(C1)OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO3S/c12-16(13,14)11-7-5-10(6-8-11)15-9-3-1-2-4-9/h5-9H,1-4H2
InChIKey
JXLFMLDWSZWHCB-UHFFFAOYSA-N
Compound name
4-cyclopentyloxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0274 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03468 156.1
[M+Na]+ 283.01662 164.7
[M-H]- 259.02012 163.2
[M+NH4]+ 278.06122 176.0
[M+K]+ 298.99056 160.5
[M+H-H2O]+ 243.02466 151.3
[M+HCOO]- 305.02560 169.3
[M+CH3COO]- 319.04125 187.2
[M+Na-2H]- 281.00207 157.9
[M]+ 260.02685 159.3
[M]- 260.02795 159.3
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.