CID 3054437

Brn 2297911

Structural Information

Molecular Formula
C19H18O4
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C19H18O4/c1-18(2,3)11-8-9-15(20)14(10-11)19(23)16(21)12-6-4-5-7-13(12)17(19)22/h4-10,20,23H,1-3H3
InChIKey
UXAANHIYFDVLHK-UHFFFAOYSA-N
Compound name
2-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.127776 171.1
[M+Na]+ 333.109718 181.2
[M-H]- 309.113224 177.5
[M+NH4]+ 328.154323 190.1
[M+K]+ 349.083658 176.4
[M+H-H2O]+ 293.117760 166.2
[M+HCOO]- 355.118701 189.5
[M+CH3COO]- 369.134351 202.0
[M+Na-2H]- 331.095166 174.4
[M]+ 310.11995142 172.7
[M]- 310.12104858 172.7
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.