CID 51060864

4-fluoro-n-(2-(2-(4-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H13FN4O4
SMILES
C1=CC(=CC=C1/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C16H13FN4O4/c17-13-5-3-12(4-6-13)16(23)18-10-15(22)20-19-9-11-1-7-14(8-2-11)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22)/b19-9+
InChIKey
IZAMGLIIJOYWAF-DJKKODMXSA-N
Compound name
4-fluoro-N-[2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09207 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09935 173.9
[M+Na]+ 367.08129 177.5
[M-H]- 343.08479 180.1
[M+NH4]+ 362.12589 185.1
[M+K]+ 383.05523 170.5
[M+H-H2O]+ 327.08933 167.9
[M+HCOO]- 389.09027 200.8
[M+CH3COO]- 403.10592 212.7
[M+Na-2H]- 365.06674 179.6
[M]+ 344.09152 170.8
[M]- 344.09262 170.8
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.