CID 84789578

4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole

Structural Information

Molecular Formula
C6H7BrFNS
SMILES
CC(C)(C1=NC(=CS1)Br)F
InChI
InChI=1S/C6H7BrFNS/c1-6(2,8)5-9-4(7)3-10-5/h3H,1-2H3
InChIKey
GRHLJFKEKUOLQI-UHFFFAOYSA-N
Compound name
4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.94666 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.953936 132.9
[M+Na]+ 245.935878 147.3
[M-H]- 221.939384 138.0
[M+NH4]+ 240.980483 156.7
[M+K]+ 261.909818 136.4
[M+H-H2O]+ 205.943920 133.4
[M+HCOO]- 267.944861 148.5
[M+CH3COO]- 281.960511 183.7
[M+Na-2H]- 243.921326 138.0
[M]+ 222.94611142 152.8
[M]- 222.94720858 152.8
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.