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 173.0
[M+Na]+ 373.02627 183.8
[M-H]- 349.02977 175.3
[M+NH4]+ 368.07087 187.6
[M+K]+ 389.00021 177.4
[M+H-H2O]+ 333.03431 164.2
[M+HCOO]- 395.03525 182.0
[M+CH3COO]- 409.05090 209.9
[M+Na-2H]- 371.01172 172.5
[M]+ 350.03650 174.1
[M]- 350.03760 174.1
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.