CID 628858

50984-88-8

Structural Information

Molecular Formula
C24H22O4
SMILES
CC1=CC(=C(C=C1O)C)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C(=C4)C)O)C
InChI
InChI=1S/C24H22O4/c1-13-11-21(25)15(3)9-19(13)24(20-10-16(4)22(26)12-14(20)2)18-8-6-5-7-17(18)23(27)28-24/h5-12,25-26H,1-4H3
InChIKey
PXCIPOXPHMTCIL-UHFFFAOYSA-N
Compound name
3,3-bis(4-hydroxy-2,5-dimethylphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

374.1518 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.159076 189.5
[M+Na]+ 397.141018 200.7
[M-H]- 373.144524 200.2
[M+NH4]+ 392.185623 204.6
[M+K]+ 413.114958 195.8
[M+H-H2O]+ 357.149060 182.3
[M+HCOO]- 419.150001 207.7
[M+CH3COO]- 433.165651 201.2
[M+Na-2H]- 395.126466 189.5
[M]+ 374.15125142 193.2
[M]- 374.15234858 193.2
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