CID 163391687

2779558-94-8

Structural Information

Molecular Formula
C13H15BFNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=C(C=C2)F)SC=N3
InChI
InChI=1S/C13H15BFNO2S/c1-12(2)13(3,4)18-14(17-12)8-5-6-9(15)11-10(8)16-7-19-11/h5-7H,1-4H3
InChIKey
PNWCNIPRBUUNKF-UHFFFAOYSA-N
Compound name
7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.09006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09734 153.5
[M+Na]+ 302.07928 167.1
[M-H]- 278.08278 161.8
[M+NH4]+ 297.12388 176.0
[M+K]+ 318.05322 165.7
[M+H-H2O]+ 262.08732 149.2
[M+HCOO]- 324.08826 169.9
[M+CH3COO]- 338.10391 168.3
[M+Na-2H]- 300.06473 156.8
[M]+ 279.08951 160.3
[M]- 279.09061 160.3
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.