CID 137964725

(5-(trifluoromethyl)furan-3-yl)boronic acid

Structural Information

Molecular Formula
C5H4BF3O3
SMILES
B(C1=COC(=C1)C(F)(F)F)(O)O
InChI
InChI=1S/C5H4BF3O3/c7-5(8,9)4-1-3(2-12-4)6(10)11/h1-2,10-11H
InChIKey
ZLOCYFUZKDKFBS-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)furan-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.02055 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02783 127.7
[M+Na]+ 203.00977 136.6
[M-H]- 179.01327 126.0
[M+NH4]+ 198.05437 146.9
[M+K]+ 218.98371 136.0
[M+H-H2O]+ 163.01781 121.2
[M+HCOO]- 225.01875 145.0
[M+CH3COO]- 239.03440 172.5
[M+Na-2H]- 200.99522 132.7
[M]+ 180.02000 123.8
[M]- 180.02110 123.8
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.