CID 15737676

1-tosylbicyclo[1.1.0]butane

Structural Information

Molecular Formula
C11H12O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C23CC2C3
InChI
InChI=1S/C11H12O2S/c1-8-2-4-10(5-3-8)14(12,13)11-6-9(11)7-11/h2-5,9H,6-7H2,1H3
InChIKey
PDNMOVXVLOFEBV-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonylbicyclo[1.1.0]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.0558 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.063076 151.3
[M+Na]+ 231.045018 160.6
[M-H]- 207.048524 159.2
[M+NH4]+ 226.089623 161.8
[M+K]+ 247.018958 159.2
[M+H-H2O]+ 191.053060 146.6
[M+HCOO]- 253.054001 166.2
[M+CH3COO]- 267.069651 195.5
[M+Na-2H]- 229.030466 156.1
[M]+ 208.05525142 158.7
[M]- 208.05634858 158.7
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