CID 58380535

3-(benzyloxy)cyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H13ClO3S
SMILES
C1C(CC1S(=O)(=O)Cl)OCC2=CC=CC=C2
InChI
InChI=1S/C11H13ClO3S/c12-16(13,14)11-6-10(7-11)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey
AUYZABLHRWXAHI-UHFFFAOYSA-N
Compound name
3-phenylmethoxycyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

260.0274 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03468 145.7
[M+Na]+ 283.01662 153.7
[M+NH4]+ 278.06122 150.4
[M+K]+ 298.99056 148.0
[M-H]- 259.02012 145.4
[M+Na-2H]- 281.00207 150.4
[M]+ 260.02685 146.4
[M]- 260.02795 146.4
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

patents stripe