CID 146049070

[5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]boronic acid

Structural Information

Molecular Formula
C6H4BF5O2S
SMILES
B(C1=CSC(=C1)C(C(F)(F)F)(F)F)(O)O
InChI
InChI=1S/C6H4BF5O2S/c8-5(9,6(10,11)12)4-1-3(2-15-4)7(13)14/h1-2,13-14H
InChIKey
OYKQSXHVEZXPBE-UHFFFAOYSA-N
Compound name
[5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.99452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00180 140.7
[M+Na]+ 268.98374 149.5
[M-H]- 244.98724 135.7
[M+NH4]+ 264.02834 158.8
[M+K]+ 284.95768 146.1
[M+H-H2O]+ 228.99178 132.5
[M+HCOO]- 290.99272 149.5
[M+CH3COO]- 305.00837 183.6
[M+Na-2H]- 266.96919 141.0
[M]+ 245.99397 134.6
[M]- 245.99507 134.6
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.