CID 3044347

Brn 2020328

Structural Information

Molecular Formula
C21H23ClO5
SMILES
CC(C)(C)C(=O)OCOC(=O)COC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H23ClO5/c1-21(2,3)20(24)27-14-26-19(23)13-25-18-10-6-16(7-11-18)12-15-4-8-17(22)9-5-15/h4-11H,12-14H2,1-3H3
InChIKey
LVKJINIFSYMHOA-UHFFFAOYSA-N
Compound name
[2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

390.1234 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13068 190.6
[M+Na]+ 413.11262 197.0
[M-H]- 389.11612 197.0
[M+NH4]+ 408.15722 202.9
[M+K]+ 429.08656 193.3
[M+H-H2O]+ 373.12066 183.1
[M+HCOO]- 435.12160 206.1
[M+CH3COO]- 449.13725 217.5
[M+Na-2H]- 411.09807 192.0
[M]+ 390.12285 199.1
[M]- 390.12395 199.1
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