CID 86653379

2-fluoro-5-iodo-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6FIO2
SMILES
COC1=C(C=C(C(=C1)F)C=O)I
InChI
InChI=1S/C8H6FIO2/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-4H,1H3
InChIKey
WVMFALARVZUXGO-UHFFFAOYSA-N
Compound name
2-fluoro-5-iodo-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.93967 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.94695 143.8
[M+Na]+ 302.92889 149.2
[M+NH4]+ 297.97349 147.3
[M+K]+ 318.90283 146.0
[M-H]- 278.93239 138.3
[M+Na-2H]- 300.91434 137.3
[M]+ 279.93912 141.9
[M]- 279.94022 141.9
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