CID 3054631

Brn 2785998

Structural Information

Molecular Formula
C23H19ClO5
SMILES
COC(=O)C1=CC=CC=C1OC(=O)COC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H19ClO5/c1-27-23(26)20-4-2-3-5-21(20)29-22(25)15-28-19-12-8-17(9-13-19)14-16-6-10-18(24)11-7-16/h2-13H,14-15H2,1H3
InChIKey
CGBITUCKQKZLHV-UHFFFAOYSA-N
Compound name
methyl 2-[2-[4-[(4-chlorophenyl)methyl]phenoxy]acetyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.0921 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09938 195.0
[M+Na]+ 433.08132 201.9
[M-H]- 409.08482 204.5
[M+NH4]+ 428.12592 205.7
[M+K]+ 449.05526 197.2
[M+H-H2O]+ 393.08936 185.5
[M+HCOO]- 455.09030 212.4
[M+CH3COO]- 469.10595 220.9
[M+Na-2H]- 431.06677 195.8
[M]+ 410.09155 202.3
[M]- 410.09265 202.3
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.