CID 11368883

(3-acetyloxy-5-carbonochloridoylphenyl) acetate

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

116
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 147.2
[M+Na]+ 279.00307 156.5
[M-H]- 255.00657 151.6
[M+NH4]+ 274.04767 165.3
[M+K]+ 294.97701 154.7
[M+H-H2O]+ 239.01111 142.6
[M+HCOO]- 301.01205 165.6
[M+CH3COO]- 315.02770 192.4
[M+Na-2H]- 276.98852 149.5
[M]+ 256.01330 154.1
[M]- 256.01440 154.1
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

patents stripe