CID 84792018

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

Structural Information

Molecular Formula
C5H4BrF2NS
SMILES
CC(C1=CSC(=N1)Br)(F)F
InChI
InChI=1S/C5H4BrF2NS/c1-5(7,8)3-2-10-4(6)9-3/h2H,1H3
InChIKey
LVJCNMGOPZFWGT-UHFFFAOYSA-N
Compound name
2-bromo-4-(1,1-difluoroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.92159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.92887 131.6
[M+Na]+ 249.91081 146.3
[M-H]- 225.91431 135.4
[M+NH4]+ 244.95541 155.0
[M+K]+ 265.88475 135.2
[M+H-H2O]+ 209.91885 131.2
[M+HCOO]- 271.91979 146.4
[M+CH3COO]- 285.93544 183.4
[M+Na-2H]- 247.89626 136.5
[M]+ 226.92104 150.0
[M]- 226.92214 150.0
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.