CID 428024

4-bromo-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C3H3BrN2S
SMILES
C1=C(N=C(S1)N)Br
InChI
InChI=1S/C3H3BrN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)
InChIKey
QJPQUNWGOHADOB-UHFFFAOYSA-N
Compound name
4-bromo-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

236
Patents

177.92003 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.927306 118.5
[M+Na]+ 200.909248 132.7
[M-H]- 176.912754 124.3
[M+NH4]+ 195.953853 143.1
[M+K]+ 216.883188 121.6
[M+H-H2O]+ 160.917290 118.8
[M+HCOO]- 222.918231 137.5
[M+CH3COO]- 236.933881 176.1
[M+Na-2H]- 198.894696 124.5
[M]+ 177.91948142 137.0
[M]- 177.92057858 137.0
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