CID 97003

4-fluorobenzyl iodide

Structural Information

Molecular Formula
C7H6FI
SMILES
C1=CC(=CC=C1CI)F
InChI
InChI=1S/C7H6FI/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
InChIKey
UULYZGVRBYESOA-UHFFFAOYSA-N
Compound name
1-fluoro-4-(iodomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

104
Patents

235.94983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95711 128.7
[M+Na]+ 258.93905 130.5
[M-H]- 234.94255 124.3
[M+NH4]+ 253.98365 145.9
[M+K]+ 274.91299 134.4
[M+H-H2O]+ 218.94709 119.2
[M+HCOO]- 280.94803 147.5
[M+CH3COO]- 294.96368 181.2
[M+Na-2H]- 256.92450 124.3
[M]+ 235.94928 124.7
[M]- 235.95038 124.7
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

No patent data available for this compound.