CID 2776315

(5-phenylthiophen-2-yl)boronic acid

Structural Information

Molecular Formula
C10H9BO2S
SMILES
B(C1=CC=C(S1)C2=CC=CC=C2)(O)O
InChI
InChI=1S/C10H9BO2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7,12-13H
InChIKey
RBSMKSPHBJFXCJ-UHFFFAOYSA-N
Compound name
(5-phenylthiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

342
Patents

204.04163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04891 141.2
[M+Na]+ 227.03085 149.4
[M-H]- 203.03435 146.1
[M+NH4]+ 222.07545 161.4
[M+K]+ 243.00479 145.5
[M+H-H2O]+ 187.03889 136.0
[M+HCOO]- 249.03983 159.0
[M+CH3COO]- 263.05548 177.0
[M+Na-2H]- 225.01630 142.9
[M]+ 204.04108 141.5
[M]- 204.04218 141.5
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