CID 3054555

71404-09-6

Structural Information

Molecular Formula
C13H15ClO3
SMILES
COC(=O)C1(CCCC1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H15ClO3/c1-16-12(15)13(8-2-3-9-13)17-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3
InChIKey
LOSAUGAVYVCMEV-UHFFFAOYSA-N
Compound name
methyl 1-(4-chlorophenoxy)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.07097 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07825 155.8
[M+Na]+ 277.06019 163.4
[M-H]- 253.06369 162.4
[M+NH4]+ 272.10479 177.2
[M+K]+ 293.03413 160.0
[M+H-H2O]+ 237.06823 150.6
[M+HCOO]- 299.06917 173.8
[M+CH3COO]- 313.08482 189.5
[M+Na-2H]- 275.04564 158.7
[M]+ 254.07042 158.1
[M]- 254.07152 158.1
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.