CID 10560276

182133-35-3

Structural Information

Molecular Formula
C9H9BO3S
SMILES
B(C1=CC2=C(S1)C=C(C=C2)OC)(O)O
InChI
InChI=1S/C9H9BO3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5,11-12H,1H3
InChIKey
PNRDOYJXKKKYSU-UHFFFAOYSA-N
Compound name
(6-methoxy-1-benzothiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

208.03654 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04382 139.7
[M+Na]+ 231.02576 149.9
[M-H]- 207.02926 142.8
[M+NH4]+ 226.07036 161.2
[M+K]+ 246.99970 146.6
[M+H-H2O]+ 191.03380 135.4
[M+HCOO]- 253.03474 157.6
[M+CH3COO]- 267.05039 178.8
[M+Na-2H]- 229.01121 143.0
[M]+ 208.03599 144.2
[M]- 208.03709 144.2
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