CID 3042583

60012-96-6

Structural Information

Molecular Formula
C17H15ClO4
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-8-6-11(7-9-14)15(19)12-4-3-5-13(18)10-12/h3-10H,1-2H3,(H,20,21)
InChIKey
JIWVJAFWQBLUTA-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorobenzoyl)phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.0659 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07318 170.3
[M+Na]+ 341.05512 183.8
[M+NH4]+ 336.09972 177.1
[M+K]+ 357.02906 178.1
[M-H]- 317.05862 172.4
[M+Na-2H]- 339.04057 177.6
[M]+ 318.06535 173.1
[M]- 318.06645 173.1
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