CID 3054656

Sgd 235-74

Structural Information

Molecular Formula
C22H25ClO5
SMILES
CC(C(=O)OCOC(=O)C(C)(C)C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C22H25ClO5/c1-15(20(24)26-14-27-21(25)22(2,3)4)28-19-11-7-17(8-12-19)13-16-5-9-18(23)10-6-16/h5-12,15H,13-14H2,1-4H3
InChIKey
WMBAYYKQOITSQL-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoyloxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

404.13904 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14632 194.0
[M+Na]+ 427.12826 206.2
[M+NH4]+ 422.17286 199.6
[M+K]+ 443.10220 200.4
[M-H]- 403.13176 195.8
[M+Na-2H]- 425.11371 199.9
[M]+ 404.13849 196.5
[M]- 404.13959 196.5
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