CID 10583615

2-fluoro-3,6-dimethoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

184.05357 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 132.4
[M+Na]+ 207.04279 142.9
[M-H]- 183.04629 135.8
[M+NH4]+ 202.08739 153.1
[M+K]+ 223.01673 141.7
[M+H-H2O]+ 167.05083 126.2
[M+HCOO]- 229.05177 156.9
[M+CH3COO]- 243.06742 182.7
[M+Na-2H]- 205.02824 138.2
[M]+ 184.05302 136.1
[M]- 184.05412 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

literature stripe

Patent stripe

patents stripe