CID 603447

3-fluoro-4,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C9H9FO3
SMILES
COC1=C(C(=CC(=C1)C=O)F)OC
InChI
InChI=1S/C9H9FO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
InChIKey
KMWSZQLJNRHQES-UHFFFAOYSA-N
Compound name
3-fluoro-4,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

184.05357 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.060846 132.4
[M+Na]+ 207.042788 142.9
[M-H]- 183.046294 135.8
[M+NH4]+ 202.087393 153.1
[M+K]+ 223.016728 141.7
[M+H-H2O]+ 167.050830 126.2
[M+HCOO]- 229.051771 156.9
[M+CH3COO]- 243.067421 182.7
[M+Na-2H]- 205.028236 138.2
[M]+ 184.05302142 136.1
[M]- 184.05411858 136.1
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