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]+ 157.065926 126.9
[M+Na]+ 179.047868 137.2
[M-H]- 155.051374 129.1
[M+NH4]+ 174.092473 148.2
[M+K]+ 195.021808 135.4
[M+H-H2O]+ 139.055910 121.4
[M+HCOO]- 201.056851 149.8
[M+CH3COO]- 215.072501 175.8
[M+Na-2H]- 177.033316 132.7
[M]+ 156.05810142 127.6
[M]- 156.05919858 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.