CID 105510150

2-bromo-6,6-difluoro-4,5,6,7-tetrahydro-1,3-benzothiazole

Structural Information

Molecular Formula
C7H6BrF2NS
SMILES
C1CC(CC2=C1N=C(S2)Br)(F)F
InChI
InChI=1S/C7H6BrF2NS/c8-6-11-4-1-2-7(9,10)3-5(4)12-6/h1-3H2
InChIKey
AHMQIPPFLJJTOG-UHFFFAOYSA-N
Compound name
2-bromo-6,6-difluoro-5,7-dihydro-4H-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.93724 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.94452 136.0
[M+Na]+ 275.92646 150.5
[M-H]- 251.92996 140.2
[M+NH4]+ 270.97106 161.3
[M+K]+ 291.90040 139.1
[M+H-H2O]+ 235.93450 136.5
[M+HCOO]- 297.93544 149.1
[M+CH3COO]- 311.95109 151.5
[M+Na-2H]- 273.91191 141.3
[M]+ 252.93669 153.0
[M]- 252.93779 153.0
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.