CID 29919737

5-fluoro-2-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4FIO
SMILES
C1=CC(=C(C=C1F)C=O)I
InChI
InChI=1S/C7H4FIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey
KSDLYLRIDDWCNS-UHFFFAOYSA-N
Compound name
5-fluoro-2-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

249.9291 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.93638 130.2
[M+Na]+ 272.91832 133.2
[M-H]- 248.92182 126.3
[M+NH4]+ 267.96292 147.1
[M+K]+ 288.89226 137.0
[M+H-H2O]+ 232.92636 120.9
[M+HCOO]- 294.92730 149.5
[M+CH3COO]- 308.94295 183.2
[M+Na-2H]- 270.90377 125.2
[M]+ 249.92855 127.4
[M]- 249.92965 127.4
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