CID 45158752

958451-91-7

Structural Information

Molecular Formula
C5H4BF3O2S
SMILES
B(C1=CC=C(S1)C(F)(F)F)(O)O
InChI
InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
InChIKey
NHBZQJOZVBHDAZ-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)thiophen-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

195.99771 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00499 141.9
[M+Na]+ 218.98693 148.1
[M+NH4]+ 214.03153 147.3
[M+K]+ 234.96087 144.9
[M-H]- 194.99043 137.1
[M+Na-2H]- 216.97238 143.0
[M]+ 195.99716 141.4
[M]- 195.99826 141.4
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