CID 84729127

1784996-04-8

Structural Information

Molecular Formula
C7H6BrF2NS
SMILES
C1CC2=C(C(C1)(F)F)SC(=N2)Br
InChI
InChI=1S/C7H6BrF2NS/c8-6-11-4-2-1-3-7(9,10)5(4)12-6/h1-3H2
InChIKey
PKFYTXUBKKMDJW-UHFFFAOYSA-N
Compound name
2-bromo-7,7-difluoro-5,6-dihydro-4H-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.9
[M+Na]+ 275.92646 144.2
[M+NH4]+ 270.97106 149.2
[M+K]+ 291.90040 142.2
[M-H]- 251.92996 141.1
[M+Na-2H]- 273.91191 144.9
[M]+ 252.93669 141.9
[M]- 252.93779 141.9
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.