CID 198743

Benzamide, 3,5-bis(trifluoromethyl)-, n-(5-chloro-4-(trifluoromethyl)-2-thiazolyl)-n-methyl-

Structural Information

Molecular Formula
C14H6ClF9N2OS
SMILES
CN(C1=NC(=C(S1)Cl)C(F)(F)F)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H6ClF9N2OS/c1-26(11-25-8(9(15)28-11)14(22,23)24)10(27)5-2-6(12(16,17)18)4-7(3-5)13(19,20)21/h2-4H,1H3
InChIKey
QXRSIENXVRAUPR-UHFFFAOYSA-N
Compound name
N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.97458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.98186 185.2
[M+Na]+ 478.96380 196.8
[M-H]- 454.96730 182.1
[M+NH4]+ 474.00840 196.5
[M+K]+ 494.93774 190.2
[M+H-H2O]+ 438.97184 171.9
[M+HCOO]- 500.97278 186.4
[M+CH3COO]- 514.98843 229.8
[M+Na-2H]- 476.94925 182.2
[M]+ 455.97403 179.8
[M]- 455.97513 179.8
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.