CID 12365189

(5-nitro-2-furyl)(4-nitrophenyl)methanone

Structural Information

Molecular Formula
C11H6N2O6
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(O2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H6N2O6/c14-11(9-5-6-10(19-9)13(17)18)7-1-3-8(4-2-7)12(15)16/h1-6H
InChIKey
BQGVDKDIPMSFRR-UHFFFAOYSA-N
Compound name
(5-nitrofuran-2-yl)-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.02258 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02986 156.9
[M+Na]+ 285.01180 162.4
[M-H]- 261.01530 164.6
[M+NH4]+ 280.05640 171.0
[M+K]+ 300.98574 153.7
[M+H-H2O]+ 245.01984 158.7
[M+HCOO]- 307.02078 182.5
[M+CH3COO]- 321.03643 183.3
[M+Na-2H]- 282.99725 164.9
[M]+ 262.02203 155.3
[M]- 262.02313 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.