CID 14661613

3-fluoro-4-methoxyphenol

Structural Information

Molecular Formula
C7H7FO2
SMILES
COC1=C(C=C(C=C1)O)F
InChI
InChI=1S/C7H7FO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3
InChIKey
ORECFXMTZQZHSP-UHFFFAOYSA-N
Compound name
3-fluoro-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

439
Patents

142.04301 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.050286 122.9
[M+Na]+ 165.032228 132.7
[M-H]- 141.035734 124.8
[M+NH4]+ 160.076833 144.4
[M+K]+ 181.006168 131.0
[M+H-H2O]+ 125.040270 117.3
[M+HCOO]- 187.041211 146.1
[M+CH3COO]- 201.056861 171.6
[M+Na-2H]- 163.017676 129.9
[M]+ 142.04246142 122.8
[M]- 142.04355858 122.8
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