CID 60145999

4-fluoro-2-iodobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe