CID 2733960

2-thiopheneboronic 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

9878
Patents

128.01033 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01761 122.1
[M+Na]+ 150.99955 130.3
[M-H]- 127.00305 123.7
[M+NH4]+ 146.04415 145.1
[M+K]+ 166.97349 128.5
[M+H-H2O]+ 111.00759 117.8
[M+HCOO]- 173.00853 139.9
[M+CH3COO]- 187.02418 162.3
[M+Na-2H]- 148.98500 124.6
[M]+ 128.00978 122.0
[M]- 128.01088 122.0
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