CID 2513495

N-(5-bromo-4-formyl-1,3-thiazol-2-yl)-n-[3-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C13H8BrF3N2O2S
SMILES
CC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2=NC(=C(S2)Br)C=O
InChI
InChI=1S/C13H8BrF3N2O2S/c1-7(21)19(12-18-10(6-20)11(14)22-12)9-4-2-3-8(5-9)13(15,16)17/h2-6H,1H3
InChIKey
UJRPQQHTNJBRCK-UHFFFAOYSA-N
Compound name
N-(5-bromo-4-formyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.9442 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.95148 176.1
[M+Na]+ 414.93342 175.9
[M+NH4]+ 409.97802 177.6
[M+K]+ 430.90736 176.8
[M-H]- 390.93692 173.0
[M+Na-2H]- 412.91887 176.8
[M]+ 391.94365 174.2
[M]- 391.94475 174.2
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.