CID 11572754

869093-64-1

Structural Information

Molecular Formula
C15H19ClO3
SMILES
CC(C(=O)O)OC1=C(C=C(C=C1)Cl)C2CCCCC2
InChI
InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)
InChIKey
ZZLKPPSJSXVBKA-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-cyclohexylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.10226 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10954 162.9
[M+Na]+ 305.09148 167.8
[M-H]- 281.09498 167.3
[M+NH4]+ 300.13608 178.6
[M+K]+ 321.06542 163.7
[M+H-H2O]+ 265.09952 156.8
[M+HCOO]- 327.10046 175.5
[M+CH3COO]- 341.11611 196.6
[M+Na-2H]- 303.07693 162.9
[M]+ 282.10171 161.6
[M]- 282.10281 161.6
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

patents stripe