CID 174256

82168-34-1

Structural Information

Molecular Formula
C21H19ClO6
SMILES
C=CC(=O)OCCOCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H19ClO6/c1-2-19(23)27-13-11-26-12-14-28-21(25)18-6-4-3-5-17(18)20(24)15-7-9-16(22)10-8-15/h2-10H,1,11-14H2
InChIKey
KBWZQMFOIHPJGO-UHFFFAOYSA-N
Compound name
2-(2-prop-2-enoyloxyethoxy)ethyl 2-(4-chlorobenzoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

402.087 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09428 190.2
[M+Na]+ 425.07622 202.5
[M+NH4]+ 420.12082 195.0
[M+K]+ 441.05016 196.1
[M-H]- 401.07972 191.6
[M+Na-2H]- 423.06167 195.7
[M]+ 402.08645 192.4
[M]- 402.08755 192.4
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