CID 5720725

5-(4-nitrophenyl)-2-furaldehyde oxime

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=N/O)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O4/c14-12-7-10-5-6-11(17-10)8-1-3-9(4-2-8)13(15)16/h1-7,14H/b12-7+
InChIKey
HPAWHLYTSAIGMS-KPKJPENVSA-N
Compound name
(NE)-N-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

232.0484 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 147.3
[M+Na]+ 255.03762 154.6
[M-H]- 231.04112 155.4
[M+NH4]+ 250.08222 164.2
[M+K]+ 271.01156 149.1
[M+H-H2O]+ 215.04566 144.9
[M+HCOO]- 277.04660 175.1
[M+CH3COO]- 291.06225 184.0
[M+Na-2H]- 253.02307 155.7
[M]+ 232.04785 147.4
[M]- 232.04895 147.4
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

No patent data available for this compound.