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

7
Patents

265.924 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.93128 140.1
[M+Na]+ 288.91322 145.1
[M+NH4]+ 283.95782 143.4
[M+K]+ 304.88716 142.5
[M-H]- 264.91672 134.1
[M+Na-2H]- 286.89867 133.2
[M]+ 265.92345 137.9
[M]- 265.92455 137.9
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