CID 53406159

1-(2-fluoro-4-hydroxyphenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC(C)C(=O)C1=C(C=C(C=C1)O)F
InChI
InChI=1S/C10H11FO2/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-6,12H,1-2H3
InChIKey
OXTNGONZGVZSEC-UHFFFAOYSA-N
Compound name
1-(2-fluoro-4-hydroxyphenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

182.07431 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 135.7
[M+Na]+ 205.06353 144.0
[M-H]- 181.06703 137.2
[M+NH4]+ 200.10813 155.3
[M+K]+ 221.03747 141.9
[M+H-H2O]+ 165.07157 129.8
[M+HCOO]- 227.07251 156.1
[M+CH3COO]- 241.08816 181.6
[M+Na-2H]- 203.04898 138.5
[M]+ 182.07376 134.7
[M]- 182.07486 134.7
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