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 172.2
[M+Na]+ 414.93342 185.2
[M-H]- 390.93692 178.7
[M+NH4]+ 409.97802 189.2
[M+K]+ 430.90736 172.9
[M+H-H2O]+ 374.94146 168.8
[M+HCOO]- 436.94240 185.9
[M+CH3COO]- 450.95805 215.4
[M+Na-2H]- 412.91887 173.0
[M]+ 391.94365 191.7
[M]- 391.94475 191.7
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.