CID 11865

2-nitrofuran

Structural Information

Molecular Formula
C4H3NO3
SMILES
C1=COC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C4H3NO3/c6-5(7)4-2-1-3-8-4/h1-3H
InChIKey
FUBFWTUFPGFHOJ-UHFFFAOYSA-N
Compound name
2-nitrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

49
References

18934
Patents

113.01129 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.018566 116.4
[M+Na]+ 136.000508 124.7
[M-H]- 112.004014 121.2
[M+NH4]+ 131.045113 138.6
[M+K]+ 151.974448 121.9
[M+H-H2O]+ 96.008550 116.3
[M+HCOO]- 158.009491 143.8
[M+CH3COO]- 172.025141 159.7
[M+Na-2H]- 133.985956 127.0
[M]+ 113.01074142 116.1
[M]- 113.01183858 116.1
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