CID 45054672

N-(2-(2-(3-chlorobenzylidene)hydrazino)-2-oxoethyl)-4-fluorobenzamide

Structural Information

Molecular Formula
C16H13ClFN3O2
SMILES
C1=CC(=CC(=C1)Cl)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H13ClFN3O2/c17-13-3-1-2-11(8-13)9-20-21-15(22)10-19-16(23)12-4-6-14(18)7-5-12/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
DWMGLCJQYKZJFV-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.06802 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07530 174.9
[M+Na]+ 356.05724 181.5
[M-H]- 332.06074 181.4
[M+NH4]+ 351.10184 188.9
[M+K]+ 372.03118 176.1
[M+H-H2O]+ 316.06528 165.9
[M+HCOO]- 378.06622 196.6
[M+CH3COO]- 392.08187 215.6
[M+Na-2H]- 354.04269 178.5
[M]+ 333.06747 175.8
[M]- 333.06857 175.8
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.