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]+ 311.12778 171.1
[M+Na]+ 333.10972 181.2
[M-H]- 309.11322 177.5
[M+NH4]+ 328.15432 190.1
[M+K]+ 349.08366 176.4
[M+H-H2O]+ 293.11776 166.2
[M+HCOO]- 355.11870 189.5
[M+CH3COO]- 369.13435 202.0
[M+Na-2H]- 331.09517 174.4
[M]+ 310.11995 172.7
[M]- 310.12105 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.