CID 440082

2-hydroxy-1-(4-hydroxyphenyl)ethanone

Structural Information

Molecular Formula
C8H8O3
SMILES
C1=CC(=CC=C1C(=O)CO)O
InChI
InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2
InChIKey
KLAKIAVEMQMVBT-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(4-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

6715
Patents

152.04735 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 128.4
[M+Na]+ 175.03657 136.3
[M-H]- 151.04007 129.8
[M+NH4]+ 170.08117 148.2
[M+K]+ 191.01051 134.3
[M+H-H2O]+ 135.04461 123.5
[M+HCOO]- 197.04555 150.2
[M+CH3COO]- 211.06120 170.2
[M+Na-2H]- 173.02202 134.3
[M]+ 152.04680 127.6
[M]- 152.04790 127.6
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