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]+ 319.109536 171.9
[M+Na]+ 341.091478 179.5
[M-H]- 317.094984 177.3
[M+NH4]+ 336.136083 186.6
[M+K]+ 357.065418 174.2
[M+H-H2O]+ 301.099520 165.3
[M+HCOO]- 363.100461 187.8
[M+CH3COO]- 377.116111 205.6
[M+Na-2H]- 339.076926 172.5
[M]+ 318.10171142 176.4
[M]- 318.10280858 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.