CID 3054640

Sgd 76-75

Structural Information

Molecular Formula

C₂₃H₂₁ClO₃

SMILES

CCOC(=O)C(C1=CC=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClO3/c1-2-26-23(25)22(19-6-4-3-5-7-19)27-21-14-10-18(11-15-21)16-17-8-12-20(24)13-9-17/h3-15,22H,2,16H2,1H3

InChIKey

HZVCBFCGYSEEIG-UHFFFAOYSA-N

Compound name

ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.11792 Da
Monoisotopic Mass: 6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	381.125196	190.6
[M+Na]+	403.107138	196.7
[M-H]-	379.110644	199.6
[M+NH4]+	398.151743	202.5
[M+K]+	419.081078	190.8
[M+H-H2O]+	363.115180	181.3
[M+HCOO]-	425.116121	207.4
[M+CH3COO]-	439.131771	216.9
[M+Na-2H]-	401.092586	191.9
[M]+	380.11737142	195.5
[M]-	380.11846858	195.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.