CID 164753286

2760457-54-1

Structural Information

Molecular Formula
C14H15BF3NO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)SC(=N3)C(F)(F)F
InChI
InChI=1S/C14H15BF3NO2S/c1-12(2)13(3,4)21-15(20-12)8-5-6-10-9(7-8)19-11(22-10)14(16,17)18/h5-7H,1-4H3
InChIKey
CDBIIHVLLHZYOZ-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

329.08685 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09413 164.1
[M+Na]+ 352.07607 177.6
[M-H]- 328.07957 169.7
[M+NH4]+ 347.12067 184.6
[M+K]+ 368.05001 175.8
[M+H-H2O]+ 312.08411 158.5
[M+HCOO]- 374.08505 176.5
[M+CH3COO]- 388.10070 177.4
[M+Na-2H]- 350.06152 167.2
[M]+ 329.08630 168.6
[M]- 329.08740 168.6
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