CID 3054164

Brn 2787654

Structural Information

Molecular Formula
C24H21ClO5
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OCCOC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClO5/c1-17(26)30-23-5-3-2-4-22(23)24(27)29-15-14-28-21-12-8-19(9-13-21)16-18-6-10-20(25)11-7-18/h2-13H,14-16H2,1H3
InChIKey
HCCFWDTXFLXHGI-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]ethyl 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.10776 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11504 199.6
[M+Na]+ 447.09698 206.1
[M-H]- 423.10048 208.9
[M+NH4]+ 442.14158 209.7
[M+K]+ 463.07092 201.1
[M+H-H2O]+ 407.10502 189.9
[M+HCOO]- 469.10596 216.6
[M+CH3COO]- 483.12161 223.8
[M+Na-2H]- 445.08243 199.9
[M]+ 424.10721 207.2
[M]- 424.10831 207.2
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.