CID 9574904

Kbf-611

Structural Information

Molecular Formula

C₁₀H₁₁FN₄OS

SMILES

CC(=O)NC1=C(C=C(C=C1)/C=N/NC(=S)N)F

InChI

InChI=1S/C10H11FN4OS/c1-6(16)14-9-3-2-7(4-8(9)11)5-13-15-10(12)17/h2-5H,1H3,(H,14,16)(H3,12,15,17)/b13-5+

InChIKey

LPOOMGIKZQEQHR-WLRTZDKTSA-N

Compound name

N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-fluorophenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 254.06377 Da
Monoisotopic Mass: 0.6
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]+	255.07105	153.4
[M+Na]+	277.05299	160.1
[M+NH4]+	272.09759	159.2
[M+K]+	293.02693	154.0
[M-H]-	253.05649	154.8
[M+Na-2H]-	275.03844	157.4
[M]+	254.06322	154.5
[M]-	254.06432	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe