CID 11368883

3,5-bis(acetyloxy)benzoyl chloride

Structural Information

Molecular Formula
C11H9ClO5
SMILES
CC(=O)OC1=CC(=CC(=C1)C(=O)Cl)OC(=O)C
InChI
InChI=1S/C11H9ClO5/c1-6(13)16-9-3-8(11(12)15)4-10(5-9)17-7(2)14/h3-5H,1-2H3
InChIKey
QFBUFKRWGXGPEH-UHFFFAOYSA-N
Compound name
(3-acetyloxy-5-carbonochloridoylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

256.01385 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02113 149.6
[M+Na]+ 279.00307 161.5
[M+NH4]+ 274.04767 155.7
[M+K]+ 294.97701 157.4
[M-H]- 255.00657 149.1
[M+Na-2H]- 276.98852 154.0
[M]+ 256.01330 151.1
[M]- 256.01440 151.1
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

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