CID 7469

4'-hydroxyacetophenone

Structural Information

Molecular Formula
C8H8O2
SMILES
CC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChIKey
TXFPEBPIARQUIG-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

176
References

29977
Patents

136.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 125.6
[M+Na]+ 159.04165 138.4
[M+NH4]+ 154.08625 134.2
[M+K]+ 175.01559 132.8
[M-H]- 135.04515 127.2
[M+Na-2H]- 157.02710 132.5
[M]+ 136.05188 127.8
[M]- 136.05298 127.8
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