CID 6867737

2-(1,3-benzothiazol-2-ylthio)-n'-(5-bromo-2-fluorobenzylidene)acetohydrazide

Structural Information

Molecular Formula

C₁₆H₁₁BrFN₃OS₂

SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C16H11BrFN3OS2/c17-11-5-6-12(18)10(7-11)8-19-21-15(22)9-23-16-20-13-3-1-2-4-14(13)24-16/h1-8H,9H2,(H,21,22)/b19-8+

InChIKey

FGLBAUWQYQBCSO-UFWORHAWSA-N

Compound name

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 422.9511 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	423.958376	169.5
[M+Na]+	445.940318	183.3
[M-H]-	421.943824	178.7
[M+NH4]+	440.984923	186.6
[M+K]+	461.914258	168.3
[M+H-H2O]+	405.948360	167.7
[M+HCOO]-	467.949301	183.7
[M+CH3COO]-	481.964951	182.9
[M+Na-2H]-	443.925766	174.5
[M]+	422.95055142	192.4
[M]-	422.95164858	192.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.