CID 986164

3-bromo-n-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

Structural Information

Molecular Formula

C₁₆H₁₀BrFN₂OS

SMILES

C1=CC(=CC(=C1)Br)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H10BrFN2OS/c17-12-3-1-2-11(8-12)15(21)20-16-19-14(9-22-16)10-4-6-13(18)7-5-10/h1-9H,(H,19,20,21)

InChIKey

QNIXSKQGAQGNQT-UHFFFAOYSA-N

Compound name

3-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 375.9681 Da
Monoisotopic Mass: 4.6
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]+	376.975376	170.1
[M+Na]+	398.957318	182.6
[M-H]-	374.960824	180.7
[M+NH4]+	394.001923	187.0
[M+K]+	414.931258	169.0
[M+H-H2O]+	358.965360	168.0
[M+HCOO]-	420.966301	187.2
[M+CH3COO]-	434.981951	183.7
[M+Na-2H]-	396.942766	172.6
[M]+	375.96755142	189.4
[M]-	375.96864858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.