CID 71006

1,4-diacetoxybenzene

Structural Information

Molecular Formula
C10H10O4
SMILES
CC(=O)OC1=CC=C(C=C1)OC(=O)C
InChI
InChI=1S/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3
InChIKey
AKOGNYJNGMLDOA-UHFFFAOYSA-N
Compound name
(4-acetyloxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

2189
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 138.1
[M+Na]+ 217.04712 146.1
[M-H]- 193.05062 142.2
[M+NH4]+ 212.09172 157.6
[M+K]+ 233.02106 145.9
[M+H-H2O]+ 177.05516 132.3
[M+HCOO]- 239.05610 161.8
[M+CH3COO]- 253.07175 182.2
[M+Na-2H]- 215.03257 142.8
[M]+ 194.05735 141.8
[M]- 194.05845 141.8
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