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

126
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 127.7
[M+Na]+ 179.04787 137.0
[M-H]- 155.05137 129.4
[M+NH4]+ 174.09247 148.5
[M+K]+ 195.02181 135.1
[M+H-H2O]+ 139.05591 121.8
[M+HCOO]- 201.05685 150.5
[M+CH3COO]- 215.07250 174.6
[M+Na-2H]- 177.03332 134.0
[M]+ 156.05810 127.9
[M]- 156.05920 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