CID 71316725

217636-48-1

Structural Information

Molecular Formula
C24H27ClO6
SMILES
CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C24H27ClO6/c1-15(2)29-21(27)23(3,4)31-22(28)24(5,6)30-19-13-9-17(10-14-19)20(26)16-7-11-18(25)12-8-16/h7-15H,1-6H3
InChIKey
XINWBKNKDSKHRI-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

446.14963 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.15691 199.7
[M+Na]+ 469.13885 204.6
[M-H]- 445.14235 206.2
[M+NH4]+ 464.18345 209.4
[M+K]+ 485.11279 202.5
[M+H-H2O]+ 429.14689 192.8
[M+HCOO]- 491.14783 211.2
[M+CH3COO]- 505.16348 230.3
[M+Na-2H]- 467.12430 199.4
[M]+ 446.14908 208.7
[M]- 446.15018 208.7
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

patents stripe