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
9
Annotation Hits

89
References

36600
Patents

331.9623 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.969576 164.1
[M+Na]+ 354.951518 171.3
[M-H]- 330.955024 168.7
[M+NH4]+ 349.996123 180.2
[M+K]+ 370.925458 166.7
[M+H-H2O]+ 314.959560 158.4
[M+HCOO]- 376.960501 167.8
[M+CH3COO]- 390.976151 209.8
[M+Na-2H]- 352.936966 167.1
[M]+ 331.96175142 169.8
[M]- 331.96284858 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe