CID 6880460

330964-61-9

Structural Information

Molecular Formula
C14H12FN3O3
SMILES
C1=COC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H12FN3O3/c15-11-5-3-10(4-6-11)14(20)16-9-13(19)18-17-8-12-2-1-7-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKey
FLYVPFMSLHBMEP-CAOOACKPSA-N
Compound name
4-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09355 164.3
[M+Na]+ 312.07549 169.7
[M-H]- 288.07899 171.7
[M+NH4]+ 307.12009 179.4
[M+K]+ 328.04943 168.2
[M+H-H2O]+ 272.08353 154.9
[M+HCOO]- 334.08447 191.2
[M+CH3COO]- 348.10012 206.9
[M+Na-2H]- 310.06094 168.7
[M]+ 289.08572 164.4
[M]- 289.08682 164.4
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.