CID 26597105

942473-89-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

245.92625 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.933526 132.9
[M+Na]+ 268.915468 149.3
[M-H]- 244.918974 138.9
[M+NH4]+ 263.960073 156.5
[M+K]+ 284.889408 136.5
[M+H-H2O]+ 228.923510 132.9
[M+HCOO]- 290.924451 151.1
[M+CH3COO]- 304.940101 149.5
[M+Na-2H]- 266.900916 139.1
[M]+ 245.92570142 153.1
[M]- 245.92679858 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