CID 66521142

1209459-33-5

Structural Information

Molecular Formula
C3HBrFNS
SMILES
C1=C(N=C(S1)F)Br
InChI
InChI=1S/C3HBrFNS/c4-2-1-7-3(5)6-2/h1H
InChIKey
QLALGPKAXVTOQE-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.8997 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.906976 117.2
[M+Na]+ 203.888918 132.5
[M-H]- 179.892424 122.5
[M+NH4]+ 198.933523 142.4
[M+K]+ 219.862858 122.0
[M+H-H2O]+ 163.896960 117.7
[M+HCOO]- 225.897901 135.1
[M+CH3COO]- 239.913551 175.0
[M+Na-2H]- 201.874366 123.3
[M]+ 180.89915142 136.6
[M]- 180.90024858 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