CID 854410

34800-26-5

Structural Information

Molecular Formula
C9H7BrN2OS2
SMILES
CC(=O)NC1=NC(=CS1)C2=CC=C(S2)Br
InChI
InChI=1S/C9H7BrN2OS2/c1-5(13)11-9-12-6(4-14-9)7-2-3-8(10)15-7/h2-4H,1H3,(H,11,12,13)
InChIKey
PRHFTISODISOTF-UHFFFAOYSA-N
Compound name
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

301.91833 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.92561 142.8
[M+Na]+ 324.90755 144.8
[M+NH4]+ 319.95215 148.1
[M+K]+ 340.88149 145.4
[M-H]- 300.91105 144.6
[M+Na-2H]- 322.89300 146.4
[M]+ 301.91778 143.1
[M]- 301.91888 143.1
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.