CID 98041661

3-fluoro-2-hydroxy-4-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4FIO2
SMILES
C1=CC(=C(C(=C1C=O)O)F)I
InChI
InChI=1S/C7H4FIO2/c8-6-5(9)2-1-4(3-10)7(6)11/h1-3,11H
InChIKey
PLTIQGSIRIGRCP-UHFFFAOYSA-N
Compound name
3-fluoro-2-hydroxy-4-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.924 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.931276 135.3
[M+Na]+ 288.913218 138.7
[M-H]- 264.916724 130.4
[M+NH4]+ 283.957823 151.1
[M+K]+ 304.887158 142.0
[M+H-H2O]+ 248.921260 126.1
[M+HCOO]- 310.922201 153.2
[M+CH3COO]- 324.937851 183.7
[M+Na-2H]- 286.898666 128.9
[M]+ 265.92345142 132.3
[M]- 265.92454858 132.3
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