CID 15307778

1-iodo-3-phenylbicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C11H11I
SMILES
C1C2(CC1(C2)I)C3=CC=CC=C3
InChI
InChI=1S/C11H11I/c12-11-6-10(7-11,8-11)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
RAWXHWQESFAKNH-UHFFFAOYSA-N
Compound name
1-iodo-3-phenylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.99054 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99782 145.0
[M+Na]+ 292.97976 145.7
[M-H]- 268.98326 145.7
[M+NH4]+ 288.02436 149.0
[M+K]+ 308.95370 153.6
[M+H-H2O]+ 252.98780 129.8
[M+HCOO]- 314.98874 156.0
[M+CH3COO]- 329.00439 213.0
[M+Na-2H]- 290.96521 145.0
[M]+ 269.98999 165.9
[M]- 269.99109 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe