CID 88535260

1286278-35-0

Structural Information

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

5
Patents

330.0884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09568 154.7
[M+Na]+ 353.07762 166.4
[M-H]- 329.08112 157.7
[M+NH4]+ 348.12222 173.4
[M+K]+ 369.05156 164.9
[M+H-H2O]+ 313.08566 148.0
[M+HCOO]- 375.08660 165.2
[M+CH3COO]- 389.10225 204.5
[M+Na-2H]- 351.06307 155.6
[M]+ 330.08785 153.8
[M]- 330.08895 153.8
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