CID 22340935

1209458-83-2

Structural Information

Molecular Formula
C3HBrFNS
SMILES
C1=C(SC(=N1)Br)F
InChI
InChI=1S/C3HBrFNS/c4-3-6-1-2(5)7-3/h1H
InChIKey
VXNUGJCISAFNPM-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

180.8997 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.90698 117.2
[M+Na]+ 203.88892 132.5
[M-H]- 179.89242 122.5
[M+NH4]+ 198.93352 142.4
[M+K]+ 219.86286 122.0
[M+H-H2O]+ 163.89696 117.7
[M+HCOO]- 225.89790 135.1
[M+CH3COO]- 239.91355 175.0
[M+Na-2H]- 201.87437 123.3
[M]+ 180.89915 136.6
[M]- 180.90025 136.6
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

patents stripe