CID 4413055

330677-38-8

Structural Information

Molecular Formula
C13H13F3N2O2S2
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=NC(=CS2)C(F)(F)F)C
InChI
InChI=1S/C13H13F3N2O2S2/c1-7-4-8(2)11(9(3)5-7)22(19,20)18-12-17-10(6-21-12)13(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKey
HCNPPABZVLZOSM-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.03705 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.04433 181.3
[M+Na]+ 373.02627 188.5
[M+NH4]+ 368.07087 185.6
[M+K]+ 389.00021 182.4
[M-H]- 349.02977 178.8
[M+Na-2H]- 371.01172 183.5
[M]+ 350.03650 182.2
[M]- 350.03760 182.2
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

No patent data available for this compound.