CID 5720725

19934-32-8

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]+ 233.055676 147.3
[M+Na]+ 255.037618 154.6
[M-H]- 231.041124 155.4
[M+NH4]+ 250.082223 164.2
[M+K]+ 271.011558 149.1
[M+H-H2O]+ 215.045660 144.9
[M+HCOO]- 277.046601 175.1
[M+CH3COO]- 291.062251 184.0
[M+Na-2H]- 253.023066 155.7
[M]+ 232.04785142 147.4
[M]- 232.04894858 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.