CID 10035286

Thieno[3,2-b]thiophene-2-boronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C6H5BO2S2
SMILES
B(C1=CC2=C(S1)C=CS2)(O)O
InChI
InChI=1S/C6H5BO2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,8-9H
InChIKey
PVQAASIVXYZXFF-UHFFFAOYSA-N
Compound name
thieno[3,2-b]thiophen-5-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

183.9824 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.98968 134.0
[M+Na]+ 206.97162 145.4
[M-H]- 182.97512 137.3
[M+NH4]+ 202.01622 158.4
[M+K]+ 222.94556 141.8
[M+H-H2O]+ 166.97966 131.2
[M+HCOO]- 228.98060 147.9
[M+CH3COO]- 242.99625 148.2
[M+Na-2H]- 204.95707 135.0
[M]+ 183.98185 138.0
[M]- 183.98295 138.0
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