CID 178244307

2-fluoro-3-hydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one

Structural Information

Molecular Formula
C8H9FO2
SMILES
CC1C=C(C(=C(C1=O)F)O)C
InChI
InChI=1S/C8H9FO2/c1-4-3-5(2)8(11)6(9)7(4)10/h3-4,11H,1-2H3
InChIKey
ULPYRWMADRQWEO-UHFFFAOYSA-N
Compound name
2-fluoro-3-hydroxy-4,6-dimethylcyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.05865 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.065926 126.5
[M+Na]+ 179.047868 136.9
[M-H]- 155.051374 128.7
[M+NH4]+ 174.092473 147.8
[M+K]+ 195.021808 134.8
[M+H-H2O]+ 139.055910 121.3
[M+HCOO]- 201.056851 148.0
[M+CH3COO]- 215.072501 176.5
[M+Na-2H]- 177.033316 130.6
[M]+ 156.05810142 125.3
[M]- 156.05919858 125.3
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.