CID 15110

Acetylsalicylic anhydride

Structural Information

Molecular Formula
C18H14O7
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3
InChIKey
OAWXYINGQXLWOE-UHFFFAOYSA-N
Compound name
(2-acetyloxybenzoyl) 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

704
Patents

342.07394 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.9
[M+Na]+ 365.06316 185.2
[M+NH4]+ 360.10776 178.3
[M+K]+ 381.03710 181.8
[M-H]- 341.06666 174.7
[M+Na-2H]- 363.04861 179.4
[M]+ 342.07339 175.4
[M]- 342.07449 175.4
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