CID 13219

2,5-dinitrofuran

Structural Information

Molecular Formula
C4H2N2O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H2N2O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H
InChIKey
CGBSSZNFPUJLNZ-UHFFFAOYSA-N
Compound name
2,5-dinitrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.99637 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00365 129.3
[M+Na]+ 180.98559 136.7
[M-H]- 156.98909 134.1
[M+NH4]+ 176.03019 148.1
[M+K]+ 196.95953 129.7
[M+H-H2O]+ 140.99363 133.1
[M+HCOO]- 202.99457 156.6
[M+CH3COO]- 217.01022 164.0
[M+Na-2H]- 178.97104 140.1
[M]+ 157.99582 127.5
[M]- 157.99692 127.5
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