CID 105421568

1415241-98-3

Structural Information

Molecular Formula
C10H13BF3NO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)C(F)(F)F
InChI
InChI=1S/C10H13BF3NO2S/c1-8(2)9(3,4)17-11(16-8)6-5-15-7(18-6)10(12,13)14/h5H,1-4H3
InChIKey
HVPDTTZRUUSNJR-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

279.07123 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07851 149.0
[M+Na]+ 302.06045 160.4
[M-H]- 278.06395 153.2
[M+NH4]+ 297.10505 170.0
[M+K]+ 318.03439 160.5
[M+H-H2O]+ 262.06849 144.1
[M+HCOO]- 324.06943 161.3
[M+CH3COO]- 338.08508 194.5
[M+Na-2H]- 300.04590 151.5
[M]+ 279.07068 151.0
[M]- 279.07178 151.0
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