CID 43840

61888-63-9

Structural Information

Molecular Formula
C18H19ClO3
SMILES
CC(C)COC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)CC(=O)O
InChI
InChI=1S/C18H19ClO3/c1-12(2)11-22-17-8-13(9-18(20)21)7-15(10-17)14-3-5-16(19)6-4-14/h3-8,10,12H,9,11H2,1-2H3,(H,20,21)
InChIKey
TVPAJWGXBGUWSU-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-5-(2-methylpropoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.10226 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10954 171.9
[M+Na]+ 341.09148 179.5
[M-H]- 317.09498 177.3
[M+NH4]+ 336.13608 186.6
[M+K]+ 357.06542 174.2
[M+H-H2O]+ 301.09952 165.3
[M+HCOO]- 363.10046 187.8
[M+CH3COO]- 377.11611 205.6
[M+Na-2H]- 339.07693 172.5
[M]+ 318.10171 176.4
[M]- 318.10281 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.