CID 3044337

Brn 3001906

Structural Information

Molecular Formula
C20H21ClO3
SMILES
C1CCC(C1)OC(=O)COC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21ClO3/c21-17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)23-14-20(22)24-19-3-1-2-4-19/h5-12,19H,1-4,13-14H2
InChIKey
HMGWQYNVUOVFTN-UHFFFAOYSA-N
Compound name
cyclopentyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.11792 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12520 182.4
[M+Na]+ 367.10714 188.1
[M-H]- 343.11064 191.3
[M+NH4]+ 362.15174 197.7
[M+K]+ 383.08108 182.5
[M+H-H2O]+ 327.11518 174.3
[M+HCOO]- 389.11612 199.2
[M+CH3COO]- 403.13177 207.7
[M+Na-2H]- 365.09259 181.7
[M]+ 344.11737 184.7
[M]- 344.11847 184.7
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.