CID 2733960

Thiophene-2-boronic acid

Structural Information

Molecular Formula
C4H5BO2S
SMILES
B(C1=CC=CS1)(O)O
InChI
InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
InChIKey
ARYHTUPFQTUBBG-UHFFFAOYSA-N
Compound name
thiophen-2-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8583
Patents

128.01033 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01761 122.4
[M+Na]+ 150.99955 132.1
[M+NH4]+ 146.04415 131.3
[M+K]+ 166.97349 127.7
[M-H]- 127.00305 122.9
[M+Na-2H]- 148.98500 126.8
[M]+ 128.00978 124.2
[M]- 128.01088 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe