CID 10726148

6-fluoro-2,3-dimethoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
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

No literature data available for this compound.

Patent stripe

patents stripe