CID 40249

Brn 2896107

Structural Information

Molecular Formula
C19H19ClO5
SMILES
CCOC(=O)C1=CC=CC=C1OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H19ClO5/c1-4-23-17(21)15-7-5-6-8-16(15)24-18(22)19(2,3)25-14-11-9-13(20)10-12-14/h5-12H,4H2,1-3H3
InChIKey
SLADYQWVRRILLV-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0921 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09938 181.0
[M+Na]+ 385.08132 188.2
[M-H]- 361.08482 187.8
[M+NH4]+ 380.12592 194.3
[M+K]+ 401.05526 184.9
[M+H-H2O]+ 345.08936 173.9
[M+HCOO]- 407.09030 197.1
[M+CH3COO]- 421.10595 212.3
[M+Na-2H]- 383.06677 183.4
[M]+ 362.09155 188.9
[M]- 362.09265 188.9
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

No patent data available for this compound.