CID 226121

3-acetamidophthalic anhydride

Structural Information

Molecular Formula
C10H7NO4
SMILES
CC(=O)NC1=CC=CC2=C1C(=O)OC2=O
InChI
InChI=1S/C10H7NO4/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13/h2-4H,1H3,(H,11,12)
InChIKey
PAUAJOABXCGLCN-UHFFFAOYSA-N
Compound name
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

626
Patents

205.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 138.4
[M+Na]+ 228.026718 148.1
[M-H]- 204.030224 144.5
[M+NH4]+ 223.071323 159.0
[M+K]+ 244.000658 147.2
[M+H-H2O]+ 188.034760 133.4
[M+HCOO]- 250.035701 162.4
[M+CH3COO]- 264.051351 186.5
[M+Na-2H]- 226.012166 144.2
[M]+ 205.03695142 140.9
[M]- 205.03804858 140.9
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