CID 165767165

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

Structural Information

Molecular Formula
C4H2BrF2NOS
SMILES
C1=C(C(=NS1)OC(F)F)Br
InChI
InChI=1S/C4H2BrF2NOS/c5-2-1-10-8-3(2)9-4(6)7/h1,4H
InChIKey
VMFRZMAVDJKQMZ-UHFFFAOYSA-N
Compound name
4-bromo-3-(difluoromethoxy)-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.90085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.90813 128.6
[M+Na]+ 251.89007 142.9
[M-H]- 227.89357 132.4
[M+NH4]+ 246.93467 151.7
[M+K]+ 267.86401 132.5
[M+H-H2O]+ 211.89811 127.8
[M+HCOO]- 273.89905 144.4
[M+CH3COO]- 287.91470 182.9
[M+Na-2H]- 249.87552 132.6
[M]+ 228.90030 147.9
[M]- 228.90140 147.9
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.