CID 83906282

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

Structural Information

Molecular Formula
C3H3BrN2S
SMILES
C1=C(C(=NS1)N)Br
InChI
InChI=1S/C3H3BrN2S/c4-2-1-7-6-3(2)5/h1H,(H2,5,6)
InChIKey
NYMCXMLBICMJFV-UHFFFAOYSA-N
Compound name
4-bromo-1,2-thiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.92003 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.92731 118.5
[M+Na]+ 200.90925 132.7
[M-H]- 176.91275 124.3
[M+NH4]+ 195.95385 143.1
[M+K]+ 216.88319 121.6
[M+H-H2O]+ 160.91729 118.8
[M+HCOO]- 222.91823 137.5
[M+CH3COO]- 236.93388 176.1
[M+Na-2H]- 198.89470 124.5
[M]+ 177.91948 137.0
[M]- 177.92058 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.