CID 90423703

1628010-78-5

Structural Information

Molecular Formula
C13H17BF2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)C(F)F
InChI
InChI=1S/C13H17BF2O4S/c1-12(2)13(3,4)20-14(19-12)9-6-5-7-10(8-9)21(17,18)11(15)16/h5-8,11H,1-4H3
InChIKey
KPDOFYMYQVRQSP-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethylsulfonyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

318.09088 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09816 171.3
[M+Na]+ 341.08010 179.9
[M+NH4]+ 336.12470 179.1
[M+K]+ 357.05404 172.9
[M-H]- 317.08360 172.0
[M+Na-2H]- 339.06555 176.0
[M]+ 318.09033 173.3
[M]- 318.09143 173.3
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