CID 7097

92-55-7

Structural Information

Molecular Formula
C9H9NO7
SMILES
CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C
InChI
InChI=1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3
InChIKey
HSXKWKJCZNRMJO-UHFFFAOYSA-N
Compound name
[acetyloxy-(5-nitrofuran-2-yl)methyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

50
Patents

243.0379 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04518 148.1
[M+Na]+ 266.02712 156.9
[M+NH4]+ 261.07172 152.8
[M+K]+ 282.00106 160.1
[M-H]- 242.03062 148.5
[M+Na-2H]- 264.01257 149.5
[M]+ 243.03735 148.8
[M]- 243.03845 148.8
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