CID 590883

329222-68-6

Structural Information

Molecular Formula
C15H9F5O3
SMILES
COC1=C(C=C(C=C1)C=O)COC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C15H9F5O3/c1-22-9-3-2-7(5-21)4-8(9)6-23-15-13(19)11(17)10(16)12(18)14(15)20/h2-5H,6H2,1H3
InChIKey
CKMVTIRWAOEGMF-UHFFFAOYSA-N
Compound name
4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.04718 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05446 166.5
[M+Na]+ 355.03640 179.4
[M-H]- 331.03990 168.2
[M+NH4]+ 350.08100 181.2
[M+K]+ 371.01034 174.3
[M+H-H2O]+ 315.04444 154.7
[M+HCOO]- 377.04538 185.7
[M+CH3COO]- 391.06103 212.4
[M+Na-2H]- 353.02185 165.9
[M]+ 332.04663 166.5
[M]- 332.04773 166.5
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

No patent data available for this compound.