CID 165752579

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

Structural Information

Molecular Formula
C7H6BrF2NS
SMILES
C1C(CC1(F)F)C2=CSC(=N2)Br
InChI
InChI=1S/C7H6BrF2NS/c8-6-11-5(3-12-6)4-1-7(9,10)2-4/h3-4H,1-2H2
InChIKey
CBRYGGYDLKPESP-UHFFFAOYSA-N
Compound name
2-bromo-4-(3,3-difluorocyclobutyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.93724 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.94452 125.5
[M+Na]+ 275.92646 138.3
[M-H]- 251.92996 132.0
[M+NH4]+ 270.97106 143.6
[M+K]+ 291.90040 129.9
[M+H-H2O]+ 235.93450 121.1
[M+HCOO]- 297.93544 140.0
[M+CH3COO]- 311.95109 190.6
[M+Na-2H]- 273.91191 130.1
[M]+ 252.93669 150.9
[M]- 252.93779 150.9
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

patents stripe