CID 129965275

1188054-03-6

Structural Information

Molecular Formula
C7H3BrFNOS
SMILES
C1=C(C=C(C2=C1SC(=O)N2)Br)F
InChI
InChI=1S/C7H3BrFNOS/c8-4-1-3(9)2-5-6(4)10-7(11)12-5/h1-2H,(H,10,11)
InChIKey
NMCBTHBBSXGVFL-UHFFFAOYSA-N
Compound name
4-bromo-6-fluoro-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.91028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.91756 131.8
[M+Na]+ 269.89950 148.9
[M-H]- 245.90300 137.3
[M+NH4]+ 264.94410 155.4
[M+K]+ 285.87344 136.0
[M+H-H2O]+ 229.90754 132.8
[M+HCOO]- 291.90848 148.8
[M+CH3COO]- 305.92413 148.6
[M+Na-2H]- 267.88495 138.2
[M]+ 246.90973 152.7
[M]- 246.91083 152.7
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.