CID 22014996

(5-fluoro-2-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H9FO2
SMILES
COC1=C(C=C(C=C1)F)CO
InChI
InChI=1S/C8H9FO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3
InChIKey
NJDNHGOIOZXFCB-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

156.05865 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06593 130.0
[M+Na]+ 179.04787 142.5
[M+NH4]+ 174.09247 138.1
[M+K]+ 195.02181 136.4
[M-H]- 155.05137 130.5
[M+Na-2H]- 177.03332 136.3
[M]+ 156.05810 131.8
[M]- 156.05920 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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