CID 68073

480-66-0

Structural Information

Molecular Formula
C8H8O4
SMILES
CC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
InChIKey
XLEYFDVVXLMULC-UHFFFAOYSA-N
Compound name
1-(2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

85
References

3662
Patents

168.04225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 130.7
[M+Na]+ 191.03147 139.9
[M-H]- 167.03497 131.5
[M+NH4]+ 186.07607 149.7
[M+K]+ 207.00541 137.7
[M+H-H2O]+ 151.03951 126.3
[M+HCOO]- 213.04045 151.2
[M+CH3COO]- 227.05610 172.5
[M+Na-2H]- 189.01692 134.7
[M]+ 168.04170 130.3
[M]- 168.04280 130.3
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

No patent data available for this compound.