CID 3044348

Sgd 240-74

Structural Information

Molecular Formula
C23H27ClO5
SMILES
CC(C)(C)C(=O)OCOC(=O)C(C)(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C23H27ClO5/c1-22(2,3)20(25)27-15-28-21(26)23(4,5)29-19-12-8-17(9-13-19)14-16-6-10-18(24)11-7-16/h6-13H,14-15H2,1-5H3
InChIKey
WLMMEAFIGKNARR-UHFFFAOYSA-N
Compound name
[2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoyl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

418.1547 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16198 198.2
[M+Na]+ 441.14392 204.1
[M-H]- 417.14742 204.6
[M+NH4]+ 436.18852 209.4
[M+K]+ 457.11786 200.7
[M+H-H2O]+ 401.15196 190.9
[M+HCOO]- 463.15290 211.4
[M+CH3COO]- 477.16855 223.8
[M+Na-2H]- 439.12937 199.8
[M]+ 418.15415 207.0
[M]- 418.15525 207.0
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

patents stripe