CID 67452787

1000160-72-4

Structural Information

Molecular Formula
C8H7BO2S
SMILES
B(C1=CC2=C(C=C1)C=CS2)(O)O
InChI
InChI=1S/C8H7BO2S/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5,10-11H
InChIKey
VWKHOYSKUJCDLT-UHFFFAOYSA-N
Compound name
1-benzothiophen-6-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

178.02599 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03327 132.1
[M+Na]+ 201.01521 142.2
[M-H]- 177.01871 135.2
[M+NH4]+ 196.05981 154.7
[M+K]+ 216.98915 138.6
[M+H-H2O]+ 161.02325 128.0
[M+HCOO]- 223.02419 150.2
[M+CH3COO]- 237.03984 146.2
[M+Na-2H]- 199.00066 136.5
[M]+ 178.02544 134.5
[M]- 178.02654 134.5
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