CID 66750

94-49-5

Structural Information

Molecular Formula
C16H14O4
SMILES
C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
XFDQLDNQZFOAFK-UHFFFAOYSA-N
Compound name
2-benzoyloxyethyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5705
Patents

270.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 160.9
[M+Na]+ 293.07842 166.4
[M-H]- 269.08192 167.1
[M+NH4]+ 288.12302 176.3
[M+K]+ 309.05236 164.2
[M+H-H2O]+ 253.08646 152.7
[M+HCOO]- 315.08740 183.8
[M+CH3COO]- 329.10305 194.9
[M+Na-2H]- 291.06387 165.4
[M]+ 270.08865 163.5
[M]- 270.08975 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe