CID 71463814

(4-fluorothiophen-2-yl)boronic acid

Structural Information

Molecular Formula
C4H4BFO2S
SMILES
B(C1=CC(=CS1)F)(O)O
InChI
InChI=1S/C4H4BFO2S/c6-3-1-4(5(7)8)9-2-3/h1-2,7-8H
InChIKey
AECKELOUQSTTIL-UHFFFAOYSA-N
Compound name
(4-fluorothiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.00092 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.00820 123.0
[M+Na]+ 168.99014 132.1
[M-H]- 144.99364 123.5
[M+NH4]+ 164.03474 145.5
[M+K]+ 184.96408 129.8
[M+H-H2O]+ 128.99818 118.0
[M+HCOO]- 190.99912 139.7
[M+CH3COO]- 205.01477 166.1
[M+Na-2H]- 166.97559 124.5
[M]+ 146.00037 122.2
[M]- 146.00147 122.2
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

patents stripe