CID 9626696

N-(2-(2-(2,6-dichlorobenzylidene)hydrazino)-2-oxoethyl)-4-fluorobenzamide

Structural Information

Molecular Formula
C16H12Cl2FN3O2
SMILES
C1=CC(=C(C(=C1)Cl)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C16H12Cl2FN3O2/c17-13-2-1-3-14(18)12(13)8-21-22-15(23)9-20-16(24)10-4-6-11(19)7-5-10/h1-8H,9H2,(H,20,24)(H,22,23)/b21-8+
InChIKey
PMOFNKBRRBRUOX-ODCIPOBUSA-N
Compound name
N-[2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.02905 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03633 181.5
[M+Na]+ 390.01827 189.4
[M-H]- 366.02177 187.6
[M+NH4]+ 385.06287 195.0
[M+K]+ 405.99221 182.9
[M+H-H2O]+ 350.02631 173.6
[M+HCOO]- 412.02725 198.1
[M+CH3COO]- 426.04290 220.8
[M+Na-2H]- 388.00372 183.5
[M]+ 367.02850 184.4
[M]- 367.02960 184.4
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.