CID 16217058

2-fluoro-5-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4FIO
SMILES
C1=CC(=C(C=C1I)C=O)F
InChI
InChI=1S/C7H4FIO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
InChIKey
BIRCCQCPGMMGPJ-UHFFFAOYSA-N
Compound name
2-fluoro-5-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

251
Patents

249.9291 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.936376 130.2
[M+Na]+ 272.918318 133.2
[M-H]- 248.921824 126.3
[M+NH4]+ 267.962923 147.1
[M+K]+ 288.892258 137.0
[M+H-H2O]+ 232.926360 120.9
[M+HCOO]- 294.927301 149.5
[M+CH3COO]- 308.942951 183.2
[M+Na-2H]- 270.903766 125.2
[M]+ 249.92855142 127.4
[M]- 249.92964858 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