CID 10796956

3-fluoro-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7FO2
SMILES
COC1=CC(=CC(=C1)C=O)F
InChI
InChI=1S/C8H7FO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-5H,1H3
InChIKey
IBKNUJGSSUDSSJ-UHFFFAOYSA-N
Compound name
3-fluoro-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

154.04301 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.050286 125.3
[M+Na]+ 177.032228 135.4
[M-H]- 153.035734 128.5
[M+NH4]+ 172.076833 146.9
[M+K]+ 193.006168 133.9
[M+H-H2O]+ 137.040270 119.4
[M+HCOO]- 199.041211 149.9
[M+CH3COO]- 213.056861 176.4
[M+Na-2H]- 175.017676 132.3
[M]+ 154.04246142 126.8
[M]- 154.04355858 126.8
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