CID 137943199

2-[4-(difluoromethyl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H15BF2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C(F)F
InChI
InChI=1S/C11H15BF2O2S/c1-10(2)11(3,4)16-12(15-10)8-5-7(6-17-8)9(13)14/h5-6,9H,1-4H3
InChIKey
HOEBFLNDQZPIIV-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethyl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0854 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09268 148.2
[M+Na]+ 283.07462 158.5
[M-H]- 259.07812 154.7
[M+NH4]+ 278.11922 171.1
[M+K]+ 299.04856 158.5
[M+H-H2O]+ 243.08266 144.5
[M+HCOO]- 305.08360 162.8
[M+CH3COO]- 319.09925 193.2
[M+Na-2H]- 281.06007 148.8
[M]+ 260.08485 151.2
[M]- 260.08595 151.2
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.