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 135.3
[M+Na]+ 288.91322 138.7
[M-H]- 264.91672 130.4
[M+NH4]+ 283.95782 151.1
[M+K]+ 304.88716 142.0
[M+H-H2O]+ 248.92126 126.1
[M+HCOO]- 310.92220 153.2
[M+CH3COO]- 324.93785 183.7
[M+Na-2H]- 286.89867 128.9
[M]+ 265.92345 132.3
[M]- 265.92455 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