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 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

literature stripe

Patent stripe

patents stripe