CID 155822686

1-(benzenesulfonyl)-3-iodobicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C11H11IO2S
SMILES
C1C2(CC1(C2)I)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C11H11IO2S/c12-10-6-11(7-10,8-10)15(13,14)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
SUXZMKGCNHKEAF-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-3-iodobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.95245 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.95973 156.3
[M+Na]+ 356.94167 154.6
[M-H]- 332.94517 155.7
[M+NH4]+ 351.98627 157.7
[M+K]+ 372.91561 163.4
[M+H-H2O]+ 316.94971 139.4
[M+HCOO]- 378.95065 162.0
[M+CH3COO]- 392.96630 217.4
[M+Na-2H]- 354.92712 154.6
[M]+ 333.95190 179.0
[M]- 333.95300 179.0
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.