CID 95992

394-32-1

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

1
References

889
Patents

154.04301 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe