CID 82004362

4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole

Structural Information

Molecular Formula
C5H4BrF2NOS
SMILES
C1=C(N=C(S1)OCC(F)F)Br
InChI
InChI=1S/C5H4BrF2NOS/c6-3-2-11-5(9-3)10-1-4(7)8/h2,4H,1H2
InChIKey
OKWZKGUHKNRHLV-UHFFFAOYSA-N
Compound name
4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.9165 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.92378 133.2
[M+Na]+ 265.90572 147.1
[M-H]- 241.90922 136.7
[M+NH4]+ 260.95032 155.8
[M+K]+ 281.87966 136.4
[M+H-H2O]+ 225.91376 132.2
[M+HCOO]- 287.91470 148.7
[M+CH3COO]- 301.93035 185.7
[M+Na-2H]- 263.89117 136.6
[M]+ 242.91595 152.8
[M]- 242.91705 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.