CID 84650332

3-fluoro-2-methoxy-5-methylphenol

Structural Information

Molecular Formula
C8H9FO2
SMILES
CC1=CC(=C(C(=C1)F)OC)O
InChI
InChI=1S/C8H9FO2/c1-5-3-6(9)8(11-2)7(10)4-5/h3-4,10H,1-2H3
InChIKey
IZWADAKNPDABPK-UHFFFAOYSA-N
Compound name
3-fluoro-2-methoxy-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.05865 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06593 126.9
[M+Na]+ 179.04787 137.2
[M-H]- 155.05137 129.1
[M+NH4]+ 174.09247 148.2
[M+K]+ 195.02181 135.4
[M+H-H2O]+ 139.05591 121.4
[M+HCOO]- 201.05685 149.8
[M+CH3COO]- 215.07250 175.8
[M+Na-2H]- 177.03332 132.7
[M]+ 156.05810 127.6
[M]- 156.05920 127.6
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

No patent data available for this compound.