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]+ 247.917556 131.8
[M+Na]+ 269.899498 148.9
[M-H]- 245.903004 137.3
[M+NH4]+ 264.944103 155.4
[M+K]+ 285.873438 136.0
[M+H-H2O]+ 229.907540 132.8
[M+HCOO]- 291.908481 148.8
[M+CH3COO]- 305.924131 148.6
[M+Na-2H]- 267.884946 138.2
[M]+ 246.90973142 152.7
[M]- 246.91082858 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.