CID 57910993

6-bromo-5-fluorobenzo[d]thiazole

Structural Information

Molecular Formula
C7H3BrFNS
SMILES
C1=C2C(=CC(=C1F)Br)SC=N2
InChI
InChI=1S/C7H3BrFNS/c8-4-1-7-6(2-5(4)9)10-3-11-7/h1-3H
InChIKey
DXCZKPGXLMNWJV-UHFFFAOYSA-N
Compound name
6-bromo-5-fluoro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

230.91536 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.922636 128.9
[M+Na]+ 253.904578 145.8
[M-H]- 229.908084 135.5
[M+NH4]+ 248.949183 153.8
[M+K]+ 269.878518 134.0
[M+H-H2O]+ 213.912620 129.8
[M+HCOO]- 275.913561 147.2
[M+CH3COO]- 289.929211 146.3
[M+Na-2H]- 251.890026 136.4
[M]+ 230.91481142 150.7
[M]- 230.91590858 150.7
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

patents stripe