CID 84653648

4-fluoro-2-hydroxy-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7FO3
SMILES
COC1=C(C=C(C(=C1)C=O)O)F
InChI
InChI=1S/C8H7FO3/c1-12-8-2-5(4-10)7(11)3-6(8)9/h2-4,11H,1H3
InChIKey
JZJNYLOUJBFSEK-UHFFFAOYSA-N
Compound name
4-fluoro-2-hydroxy-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.03792 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 128.6
[M+Na]+ 193.02714 139.1
[M-H]- 169.03064 130.7
[M+NH4]+ 188.07174 149.1
[M+K]+ 209.00108 137.1
[M+H-H2O]+ 153.03518 122.8
[M+HCOO]- 215.03612 151.9
[M+CH3COO]- 229.05177 177.0
[M+Na-2H]- 191.01259 134.3
[M]+ 170.03737 130.0
[M]- 170.03847 130.0
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