CID 14530

3',4'-dihydroxyacetophenone

Structural Information

Molecular Formula
C8H8O3
SMILES
CC(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
InChIKey
UCQUAMAQHHEXGD-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

47
References

1501
Patents

152.04735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 127.6
[M+Na]+ 175.03657 136.5
[M-H]- 151.04007 129.4
[M+NH4]+ 170.08117 147.8
[M+K]+ 191.01051 134.5
[M+H-H2O]+ 135.04461 123.0
[M+HCOO]- 197.04555 149.4
[M+CH3COO]- 211.06120 171.4
[M+Na-2H]- 173.02202 132.8
[M]+ 152.04680 127.2
[M]- 152.04790 127.2
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