CID 725239

4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C7H5BrN2S2
SMILES
C1=C(SC(=C1)Br)C2=CSC(=N2)N
InChI
InChI=1S/C7H5BrN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)
InChIKey
MMZHPDCFNLBMBY-UHFFFAOYSA-N
Compound name
4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

259.90775 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.91503 131.8
[M+Na]+ 282.89697 148.9
[M-H]- 258.90047 141.7
[M+NH4]+ 277.94157 156.0
[M+K]+ 298.87091 136.1
[M+H-H2O]+ 242.90501 133.0
[M+HCOO]- 304.90595 148.6
[M+CH3COO]- 318.92160 149.1
[M+Na-2H]- 280.88242 134.9
[M]+ 259.90720 153.3
[M]- 259.90830 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe