CID 174256

Einecs 279-910-7

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 190.3
[M+Na]+ 425.07622 196.3
[M-H]- 401.07972 196.4
[M+NH4]+ 420.12082 201.5
[M+K]+ 441.05016 192.1
[M+H-H2O]+ 385.08426 182.3
[M+HCOO]- 447.08520 206.9
[M+CH3COO]- 461.10085 219.2
[M+Na-2H]- 423.06167 189.7
[M]+ 402.08645 198.8
[M]- 402.08755 198.8
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