CID 53431278

Ethyl 3-fluoro-5-iodobenzoate

Structural Information

Molecular Formula
C9H8FIO2
SMILES
CCOC(=O)C1=CC(=CC(=C1)I)F
InChI
InChI=1S/C9H8FIO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
InChIKey
UXBIJQIHOKZIBY-UHFFFAOYSA-N
Compound name
ethyl 3-fluoro-5-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

293.95532 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.96260 144.6
[M+Na]+ 316.94454 146.5
[M-H]- 292.94804 140.4
[M+NH4]+ 311.98914 159.8
[M+K]+ 332.91848 150.7
[M+H-H2O]+ 276.95258 134.6
[M+HCOO]- 338.95352 162.4
[M+CH3COO]- 352.96917 190.9
[M+Na-2H]- 314.92999 137.1
[M]+ 293.95477 143.1
[M]- 293.95587 143.1
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