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 143.7
[M+Na]+ 283.01662 150.5
[M-H]- 259.02012 150.1
[M+NH4]+ 278.06122 155.3
[M+K]+ 298.99056 149.4
[M+H-H2O]+ 243.02466 132.9
[M+HCOO]- 305.02560 155.9
[M+CH3COO]- 319.04125 192.2
[M+Na-2H]- 281.00207 147.6
[M]+ 260.02685 156.7
[M]- 260.02795 156.7
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