CID 14145

Dichlofluanid

Structural Information

Molecular Formula

C₉H₁₁Cl₂FN₂O₂S₂

SMILES

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

InChI

InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

WURGXGVFSMYFCG-UHFFFAOYSA-N

Compound name

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 89
References: 31467
Patents: 331.9623 Da
Monoisotopic Mass: 3.6
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]+	332.96958	169.5
[M+Na]+	354.95152	178.1
[M+NH4]+	349.99612	176.5
[M+K]+	370.92546	170.0
[M-H]-	330.95502	169.5
[M+Na-2H]-	352.93697	174.0
[M]+	331.96175	172.0
[M]-	331.96285	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe