CID 2818433

2,5-bis-(4-nitro-phenyl)-furan

Structural Information

Molecular Formula
C16H10N2O5
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H10N2O5/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H
InChIKey
HNKNQFPHXUOLQW-UHFFFAOYSA-N
Compound name
2,5-bis(4-nitrophenyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

310.05896 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06624 172.1
[M+Na]+ 333.04818 177.1
[M-H]- 309.05168 182.7
[M+NH4]+ 328.09278 184.1
[M+K]+ 349.02212 166.6
[M+H-H2O]+ 293.05622 172.3
[M+HCOO]- 355.05716 197.7
[M+CH3COO]- 369.07281 193.8
[M+Na-2H]- 331.03363 179.7
[M]+ 310.05841 170.1
[M]- 310.05951 170.1
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.