CID 214550

(3-chloro-4-cyclohexylphenyl)acetic acid

Structural Information

Molecular Formula
C14H17ClO2
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)CC(=O)O)Cl
InChI
InChI=1S/C14H17ClO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,16,17)
InChIKey
NOSBFRZPIIBRLZ-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-cyclohexylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

252.0917 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09898 155.7
[M+Na]+ 275.08092 168.8
[M+NH4]+ 270.12552 164.7
[M+K]+ 291.05486 161.2
[M-H]- 251.08442 159.5
[M+Na-2H]- 273.06637 162.5
[M]+ 252.09115 158.9
[M]- 252.09225 158.9
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