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]+ 236.957106 128.7
[M+Na]+ 258.939048 130.5
[M-H]- 234.942554 124.3
[M+NH4]+ 253.983653 145.9
[M+K]+ 274.912988 134.4
[M+H-H2O]+ 218.947090 119.2
[M+HCOO]- 280.948031 147.5
[M+CH3COO]- 294.963681 181.2
[M+Na-2H]- 256.924496 124.3
[M]+ 235.94928142 124.7
[M]- 235.95037858 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

literature stripe

Patent stripe

patents stripe