CID 4143377

(5-acetylthiophen-2-yl)boronic acid

Structural Information

Molecular Formula
C6H7BO3S
SMILES
B(C1=CC=C(S1)C(=O)C)(O)O
InChI
InChI=1S/C6H7BO3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3,9-10H,1H3
InChIKey
DCNMATSPQKWETQ-UHFFFAOYSA-N
Compound name
(5-acetylthiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

812
Patents

170.02089 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02817 133.2
[M+Na]+ 193.01011 141.2
[M-H]- 169.01361 134.8
[M+NH4]+ 188.05471 154.6
[M+K]+ 208.98405 139.2
[M+H-H2O]+ 153.01815 128.7
[M+HCOO]- 215.01909 149.6
[M+CH3COO]- 229.03474 171.5
[M+Na-2H]- 190.99556 133.1
[M]+ 170.02034 134.3
[M]- 170.02144 134.3
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