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

32992
Patents

345.97797 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.