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 197.9
[M+Na]+ 478.96380 199.2
[M+NH4]+ 474.00840 197.4
[M+K]+ 494.93774 196.2
[M-H]- 454.96730 191.4
[M+Na-2H]- 476.94925 195.8
[M]+ 455.97403 196.1
[M]- 455.97513 196.1
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.