CID 458151

2,5-dimesitylhydroquinone, diacetate

Structural Information

Molecular Formula
C28H30O4
SMILES
CC1=CC(=C(C(=C1)C)C2=CC(=C(C=C2OC(=O)C)C3=C(C=C(C=C3C)C)C)OC(=O)C)C
InChI
InChI=1S/C28H30O4/c1-15-9-17(3)27(18(4)10-15)23-13-26(32-22(8)30)24(14-25(23)31-21(7)29)28-19(5)11-16(2)12-20(28)6/h9-14H,1-8H3
InChIKey
BFXMYPXSSLCSTE-UHFFFAOYSA-N
Compound name
[4-acetyloxy-2,5-bis(2,4,6-trimethylphenyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.21442 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.22170 204.3
[M+Na]+ 453.20364 213.6
[M-H]- 429.20714 215.3
[M+NH4]+ 448.24824 215.1
[M+K]+ 469.17758 209.6
[M+H-H2O]+ 413.21168 194.7
[M+HCOO]- 475.21262 224.0
[M+CH3COO]- 489.22827 237.8
[M+Na-2H]- 451.18909 198.9
[M]+ 430.21387 212.0
[M]- 430.21497 212.0
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.