CID 1051878

N-(4-((difluoromethyl)thio)phenyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C14H13F2NO2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(F)F
InChI
InChI=1S/C14H13F2NO2S2/c1-10-2-8-13(9-3-10)21(18,19)17-11-4-6-12(7-5-11)20-14(15)16/h2-9,14,17H,1H3
InChIKey
KPBWBMRGHUBZHY-UHFFFAOYSA-N
Compound name
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.03558 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.04286 167.4
[M+Na]+ 352.02480 175.3
[M-H]- 328.02830 171.0
[M+NH4]+ 347.06940 181.4
[M+K]+ 367.99874 168.6
[M+H-H2O]+ 312.03284 158.3
[M+HCOO]- 374.03378 177.9
[M+CH3COO]- 388.04943 206.4
[M+Na-2H]- 350.01025 168.6
[M]+ 329.03503 167.7
[M]- 329.03613 167.7
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.