CID 520023

1-(5-nitro-1-benzofuran-2-yl)ethanone

Structural Information

Molecular Formula
C10H7NO4
SMILES
CC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H7NO4/c1-6(12)10-5-7-4-8(11(13)14)2-3-9(7)15-10/h2-5H,1H3
InChIKey
RMXFQPLULZFJMH-UHFFFAOYSA-N
Compound name
1-(5-nitro-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

205.0375 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 139.0
[M+Na]+ 228.02672 148.5
[M-H]- 204.03022 145.3
[M+NH4]+ 223.07132 158.8
[M+K]+ 244.00066 143.7
[M+H-H2O]+ 188.03476 138.3
[M+HCOO]- 250.03570 165.0
[M+CH3COO]- 264.05135 179.1
[M+Na-2H]- 226.01217 147.9
[M]+ 205.03695 141.8
[M]- 205.03805 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