CID 598452

3-fluoro-4-hydroxy-5-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

542
Patents

170.03792 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe