CID 75480967

1022151-32-1

Structural Information

Molecular Formula
C7H4BrFN2S
SMILES
C1=C2C(=CC(=C1F)Br)SC(=N2)N
InChI
InChI=1S/C7H4BrFN2S/c8-3-1-6-5(2-4(3)9)11-7(10)12-6/h1-2H,(H2,10,11)
InChIKey
RTANGTWGWAJMPC-UHFFFAOYSA-N
Compound name
6-bromo-5-fluoro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

245.92625 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.93353 132.9
[M+Na]+ 268.91547 149.3
[M-H]- 244.91897 138.9
[M+NH4]+ 263.96007 156.5
[M+K]+ 284.88941 136.5
[M+H-H2O]+ 228.92351 132.9
[M+HCOO]- 290.92445 151.1
[M+CH3COO]- 304.94010 149.5
[M+Na-2H]- 266.90092 139.1
[M]+ 245.92570 153.1
[M]- 245.92680 153.1
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