CID 165648444

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

Structural Information

Molecular Formula
C6H4BrF2NS
SMILES
C1C(C1(F)F)C2=CSC(=N2)Br
InChI
InChI=1S/C6H4BrF2NS/c7-5-10-4(2-11-5)3-1-6(3,8)9/h2-3H,1H2
InChIKey
APAKRWNLUIMWKX-UHFFFAOYSA-N
Compound name
2-bromo-4-(2,2-difluorocyclopropyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.92159 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.92887 127.7
[M+Na]+ 261.91081 144.3
[M-H]- 237.91431 135.3
[M+NH4]+ 256.95541 147.8
[M+K]+ 277.88475 132.9
[M+H-H2O]+ 221.91885 127.3
[M+HCOO]- 283.91979 144.0
[M+CH3COO]- 297.93544 143.9
[M+Na-2H]- 259.89626 133.1
[M]+ 238.92104 148.0
[M]- 238.92214 148.0
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.