CID 45119097

1-(4-fluoro-3-hydroxyphenyl)ethanone

Structural Information

Molecular Formula
C8H7FO2
SMILES
CC(=O)C1=CC(=C(C=C1)F)O
InChI
InChI=1S/C8H7FO2/c1-5(10)6-2-3-7(9)8(11)4-6/h2-4,11H,1H3
InChIKey
WZADRGNQKQFMHI-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

154.04301 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.050286 126.3
[M+Na]+ 177.032228 135.7
[M-H]- 153.035734 128.1
[M+NH4]+ 172.076833 147.1
[M+K]+ 193.006168 133.7
[M+H-H2O]+ 137.040270 120.7
[M+HCOO]- 199.041211 148.4
[M+CH3COO]- 213.056861 174.6
[M+Na-2H]- 175.017676 131.5
[M]+ 154.04246142 125.2
[M]- 154.04355858 125.2
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