CID 68689333

2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid

Structural Information

Molecular Formula
C13H15ClO3
SMILES
C1CCC(C1)C(C2=CC=C(C=C2)Cl)(C(=O)O)O
InChI
InChI=1S/C13H15ClO3/c14-11-7-5-10(6-8-11)13(17,12(15)16)9-3-1-2-4-9/h5-9,17H,1-4H2,(H,15,16)
InChIKey
TYTSGJDEVCAFHU-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.07097 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07825 155.4
[M+Na]+ 277.06019 165.7
[M+NH4]+ 272.10479 163.0
[M+K]+ 293.03413 162.4
[M-H]- 253.06369 156.6
[M+Na-2H]- 275.04564 160.5
[M]+ 254.07042 157.3
[M]- 254.07152 157.3
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