CID 3038933

42019-07-8

Structural Information

Molecular Formula
C18H17ClO4
SMILES
CC(C)(C(=O)OC)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H17ClO4/c1-18(2,17(21)22-3)23-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11H,1-3H3
InChIKey
YNSXVMKCLCCCBA-UHFFFAOYSA-N
Compound name
methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

332.08154 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08882 174.3
[M+Na]+ 355.07076 188.1
[M+NH4]+ 350.11536 181.2
[M+K]+ 371.04470 181.8
[M-H]- 331.07426 176.9
[M+Na-2H]- 353.05621 181.9
[M]+ 332.08099 177.4
[M]- 332.08209 177.4
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