CID 12898

Tolylfluanid

Structural Information

Molecular Formula

C₁₀H₁₃Cl₂FN₂O₂S₂

SMILES

CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C

InChI

InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3

InChIKey

HYVWIQDYBVKITD-UHFFFAOYSA-N

Compound name

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 26
References: 30242
Patents: 345.97797 Da
Monoisotopic Mass: 3.9
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]+	346.98525	168.0
[M+Na]+	368.96719	175.4
[M-H]-	344.97069	172.7
[M+NH4]+	364.01179	183.7
[M+K]+	384.94113	170.7
[M+H-H2O]+	328.97523	162.3
[M+HCOO]-	390.97617	171.2
[M+CH3COO]-	404.99182	213.7
[M+Na-2H]-	366.95264	170.0
[M]+	345.97742	174.3
[M]-	345.97852	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe