CID 69940824

2-ethyl-1-fluoro-4-iodobenzene

Structural Information

Molecular Formula
C8H8FI
SMILES
CCC1=C(C=CC(=C1)I)F
InChI
InChI=1S/C8H8FI/c1-2-6-5-7(10)3-4-8(6)9/h3-5H,2H2,1H3
InChIKey
BIBPMNUUDWPXMZ-UHFFFAOYSA-N
Compound name
2-ethyl-1-fluoro-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.96548 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97276 132.3
[M+Na]+ 272.95470 134.6
[M-H]- 248.95820 128.2
[M+NH4]+ 267.99930 149.3
[M+K]+ 288.92864 138.3
[M+H-H2O]+ 232.96274 122.9
[M+HCOO]- 294.96368 150.8
[M+CH3COO]- 308.97933 185.1
[M+Na-2H]- 270.94015 126.8
[M]+ 249.96493 129.1
[M]- 249.96603 129.1
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

patents stripe