CID 6478035

5-nitro-2-furaldehyde oxime

Structural Information

Molecular Formula
C5H4N2O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/O
InChI
InChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H/b6-3+
InChIKey
PTBKFATYSVLSSD-ZZXKWVIFSA-N
Compound name
(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

1155
Patents

156.0171 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02438 126.1
[M+Na]+ 179.00632 134.0
[M-H]- 155.00982 131.0
[M+NH4]+ 174.05092 146.3
[M+K]+ 194.98026 130.5
[M+H-H2O]+ 139.01436 125.2
[M+HCOO]- 201.01530 154.4
[M+CH3COO]- 215.03095 168.8
[M+Na-2H]- 176.99177 136.0
[M]+ 156.01655 126.1
[M]- 156.01765 126.1
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.