CID 223348

2,4-bis(acetyloxy)benzoic acid

Structural Information

Molecular Formula
C11H10O6
SMILES
CC(=O)OC1=CC(=C(C=C1)C(=O)O)OC(=O)C
InChI
InChI=1S/C11H10O6/c1-6(12)16-8-3-4-9(11(14)15)10(5-8)17-7(2)13/h3-5H,1-2H3,(H,14,15)
InChIKey
GZVIEFAFWBQDLQ-UHFFFAOYSA-N
Compound name
2,4-diacetyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

50
Patents

238.04774 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.055016 146.1
[M+Na]+ 261.036958 153.9
[M-H]- 237.040464 149.0
[M+NH4]+ 256.081563 163.1
[M+K]+ 277.010898 153.8
[M+H-H2O]+ 221.045000 140.3
[M+HCOO]- 283.045941 167.5
[M+CH3COO]- 297.061591 188.4
[M+Na-2H]- 259.022406 148.1
[M]+ 238.04719142 150.3
[M]- 238.04828858 150.3
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