CID 131558068

1026797-06-7

Structural Information

Molecular Formula
C13H17BF2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2SC(F)F
InChI
InChI=1S/C13H17BF2O2S/c1-12(2)13(3,4)18-14(17-12)9-7-5-6-8-10(9)19-11(15)16/h5-8,11H,1-4H3
InChIKey
FHEDEWMMDZWIOQ-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethylsulfanyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.10104 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10832 156.0
[M+Na]+ 309.09026 165.5
[M-H]- 285.09376 162.1
[M+NH4]+ 304.13486 176.1
[M+K]+ 325.06420 164.9
[M+H-H2O]+ 269.09830 150.5
[M+HCOO]- 331.09924 169.2
[M+CH3COO]- 345.11489 198.8
[M+Na-2H]- 307.07571 157.6
[M]+ 286.10049 158.7
[M]- 286.10159 158.7
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.