CID 3006801

Methanone, (5-nitro-2-furanyl)phenyl-

Structural Information

Molecular Formula
C11H7NO4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H7NO4/c13-11(8-4-2-1-3-5-8)9-6-7-10(16-9)12(14)15/h1-7H
InChIKey
SYULBZSCIJXUSG-UHFFFAOYSA-N
Compound name
(5-nitrofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

217.0375 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04478 144.3
[M+Na]+ 240.02672 151.3
[M-H]- 216.03022 152.2
[M+NH4]+ 235.07132 161.8
[M+K]+ 256.00066 146.5
[M+H-H2O]+ 200.03476 142.4
[M+HCOO]- 262.03570 170.2
[M+CH3COO]- 276.05135 179.5
[M+Na-2H]- 238.01217 151.6
[M]+ 217.03695 144.3
[M]- 217.03805 144.3
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