CID 89685698

1286278-34-9

Structural Information

Molecular Formula
C12H16BF5O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(F)(F)(F)(F)F
InChI
InChI=1S/C12H16BF5O2S/c1-11(2)12(3,4)20-13(19-11)9-5-7-10(8-6-9)21(14,15,16,17)18/h5-8H,1-4H3
InChIKey
GSABJOBFIHVJIB-UHFFFAOYSA-N
Compound name
pentafluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

330.0884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09568 175.3
[M+Na]+ 353.07762 181.7
[M+NH4]+ 348.12222 181.0
[M+K]+ 369.05156 174.3
[M-H]- 329.08112 173.3
[M+Na-2H]- 351.06307 177.7
[M]+ 330.08785 176.0
[M]- 330.08895 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe