CID 86389

Thifluzamide

Structural Information

Molecular Formula
C13H6Br2F6N2O2S
SMILES
CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F
InChI
InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)
InChIKey
WOSNCVAPUOFXEH-UHFFFAOYSA-N
Compound name
N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

25464
Patents

525.8421 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.84938 194.1
[M+Na]+ 548.83132 188.3
[M+NH4]+ 543.87592 192.6
[M+K]+ 564.80526 191.8
[M-H]- 524.83482 190.2
[M+Na-2H]- 546.81677 191.2
[M]+ 525.84155 191.4
[M]- 525.84265 191.4
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