CID 9578461

Brn 1254281

Structural Information

Molecular Formula
C11H8FN3O3
SMILES
C1=CC(=CC=C1N/N=C/C2=CC=C(O2)[N+](=O)[O-])F
InChI
InChI=1S/C11H8FN3O3/c12-8-1-3-9(4-2-8)14-13-7-10-5-6-11(18-10)15(16)17/h1-7,14H/b13-7+
InChIKey
PXUCVXIMKKJTTB-NTUHNPAUSA-N
Compound name
4-fluoro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.05496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06224 149.7
[M+Na]+ 272.04418 156.6
[M-H]- 248.04768 157.6
[M+NH4]+ 267.08878 166.3
[M+K]+ 288.01812 151.0
[M+H-H2O]+ 232.05222 145.7
[M+HCOO]- 294.05316 178.7
[M+CH3COO]- 308.06881 192.1
[M+Na-2H]- 270.02963 158.4
[M]+ 249.05441 148.5
[M]- 249.05551 148.5
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.