CID 2759364

1-benzyl-4-iodobenzene

Structural Information

Molecular Formula
C13H11I
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)I
InChI
InChI=1S/C13H11I/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
FCUNNMLRHRWXAM-UHFFFAOYSA-N
Compound name
1-benzyl-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

293.99054 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99782 147.6
[M+Na]+ 316.97976 148.3
[M-H]- 292.98326 146.7
[M+NH4]+ 312.02436 162.2
[M+K]+ 332.95370 150.2
[M+H-H2O]+ 276.98780 137.1
[M+HCOO]- 338.98874 166.8
[M+CH3COO]- 353.00439 191.5
[M+Na-2H]- 314.96521 143.1
[M]+ 293.98999 144.1
[M]- 293.99109 144.1
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