CID 3040408

Ml 1148

Structural Information

Molecular Formula
C19H19ClO6
SMILES
CC(C)(C(=O)OCCOC(=O)C1=CC=CC=C1O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H19ClO6/c1-19(2,26-14-9-7-13(20)8-10-14)18(23)25-12-11-24-17(22)15-5-3-4-6-16(15)21/h3-10,21H,11-12H2,1-2H3
InChIKey
YPUXVLYCFMEAMG-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.087 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09428 183.5
[M+Na]+ 401.07622 190.0
[M-H]- 377.07972 188.9
[M+NH4]+ 396.12082 195.4
[M+K]+ 417.05016 186.8
[M+H-H2O]+ 361.08426 176.5
[M+HCOO]- 423.08520 198.4
[M+CH3COO]- 437.10085 212.0
[M+Na-2H]- 399.06167 185.8
[M]+ 378.08645 191.1
[M]- 378.08755 191.1
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