CID 4082402

80661-26-3

Structural Information

Molecular Formula
C22H19ClO3
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)OCC3=CC=CC=C3)Cl
InChI
InChI=1S/C22H19ClO3/c23-20-13-19(14-22(24)26-16-18-9-5-2-6-10-18)11-12-21(20)25-15-17-7-3-1-4-8-17/h1-13H,14-16H2
InChIKey
WWDPCWMNWVZRPO-UHFFFAOYSA-N
Compound name
benzyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10226 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10954 186.5
[M+Na]+ 389.09148 193.4
[M-H]- 365.09498 195.5
[M+NH4]+ 384.13608 199.0
[M+K]+ 405.06542 187.1
[M+H-H2O]+ 349.09952 177.2
[M+HCOO]- 411.10046 204.6
[M+CH3COO]- 425.11611 213.2
[M+Na-2H]- 387.07693 189.4
[M]+ 366.10171 191.5
[M]- 366.10281 191.5
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.