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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12520 190.6
[M+Na]+ 403.10714 196.7
[M-H]- 379.11064 199.6
[M+NH4]+ 398.15174 202.5
[M+K]+ 419.08108 190.8
[M+H-H2O]+ 363.11518 181.3
[M+HCOO]- 425.11612 207.4
[M+CH3COO]- 439.13177 216.9
[M+Na-2H]- 401.09259 191.9
[M]+ 380.11737 195.5
[M]- 380.11847 195.5
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.