CID 84108

13936-01-1

Structural Information

Molecular Formula
C23H26O2
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C
InChI
InChI=1S/C23H26O2/c1-22(2,3)15-11-14(12-16(13-15)23(4,5)6)19-20(24)17-9-7-8-10-18(17)21(19)25/h7-13,19H,1-6H3
InChIKey
ITVMYFGQCMFWIN-UHFFFAOYSA-N
Compound name
2-(3,5-ditert-butylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.19327 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.20055 182.2
[M+Na]+ 357.18249 191.1
[M-H]- 333.18599 190.5
[M+NH4]+ 352.22709 199.8
[M+K]+ 373.15643 186.1
[M+H-H2O]+ 317.19053 176.4
[M+HCOO]- 379.19147 200.2
[M+CH3COO]- 393.20712 214.6
[M+Na-2H]- 355.16794 183.6
[M]+ 334.19272 184.9
[M]- 334.19382 184.9
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

patents stripe