CID 593589

2-fluoro-3-methoxybenzyl alcohol

Structural Information

Molecular Formula
C8H9FO2
SMILES
COC1=CC=CC(=C1F)CO
InChI
InChI=1S/C8H9FO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4,10H,5H2,1H3
InChIKey
CXVBJFZOPGMFGV-UHFFFAOYSA-N
Compound name
(2-fluoro-3-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

156.05865 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.065926 127.7
[M+Na]+ 179.047868 137.0
[M-H]- 155.051374 129.4
[M+NH4]+ 174.092473 148.5
[M+K]+ 195.021808 135.1
[M+H-H2O]+ 139.055910 121.8
[M+HCOO]- 201.056851 150.5
[M+CH3COO]- 215.072501 174.6
[M+Na-2H]- 177.033316 134.0
[M]+ 156.05810142 127.9
[M]- 156.05919858 127.9
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