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]+ 223.95394 132.9
[M+Na]+ 245.93588 147.3
[M-H]- 221.93938 138.0
[M+NH4]+ 240.98048 156.7
[M+K]+ 261.90982 136.4
[M+H-H2O]+ 205.94392 133.4
[M+HCOO]- 267.94486 148.5
[M+CH3COO]- 281.96051 183.7
[M+Na-2H]- 243.92133 138.0
[M]+ 222.94611 152.8
[M]- 222.94721 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.