CID 198742

134880-74-3

Structural Information

Molecular Formula
C13H4ClF9N2OS
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NC2=NC(=C(S2)Cl)C(F)(F)F
InChI
InChI=1S/C13H4ClF9N2OS/c14-8-7(13(21,22)23)24-10(27-8)25-9(26)4-1-5(11(15,16)17)3-6(2-4)12(18,19)20/h1-3H,(H,24,25,26)
InChIKey
ISHSAVCUWFOHQK-UHFFFAOYSA-N
Compound name
N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.95892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.96620 181.5
[M+Na]+ 464.94814 193.3
[M-H]- 440.95164 177.0
[M+NH4]+ 459.99274 192.7
[M+K]+ 480.92208 185.6
[M+H-H2O]+ 424.95618 168.5
[M+HCOO]- 486.95712 182.4
[M+CH3COO]- 500.97277 223.8
[M+Na-2H]- 462.93359 179.4
[M]+ 441.95837 174.5
[M]- 441.95947 174.5
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.