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

38
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

literature stripe

Patent stripe

patents stripe