CID 9567539

(5-nitro-2-furyl)-phenyl-methanone oxime

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC=C(C=C1)/C(=N/O)/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O4/c14-12-11(8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16/h1-7,14H/b12-11-
InChIKey
IMOGMMAYBKKJPF-QXMHVHEDSA-N
Compound name
(NZ)-N-[(5-nitrofuran-2-yl)-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.0484 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 147.6
[M+Na]+ 255.03762 153.6
[M-H]- 231.04112 155.3
[M+NH4]+ 250.08222 164.1
[M+K]+ 271.01156 148.7
[M+H-H2O]+ 215.04566 145.1
[M+HCOO]- 277.04660 174.4
[M+CH3COO]- 291.06225 183.6
[M+Na-2H]- 253.02307 155.5
[M]+ 232.04785 146.7
[M]- 232.04895 146.7
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.