CID 57747288

(2-cyanothiophen-3-yl)boronic acid

Structural Information

Molecular Formula
C5H4BNO2S
SMILES
B(C1=C(SC=C1)C#N)(O)O
InChI
InChI=1S/C5H4BNO2S/c7-3-5-4(6(8)9)1-2-10-5/h1-2,8-9H
InChIKey
RFWCHPVGCQCEQB-UHFFFAOYSA-N
Compound name
(2-cyanothiophen-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.00558 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.012856 134.8
[M+Na]+ 175.994798 145.7
[M-H]- 151.998304 137.1
[M+NH4]+ 171.039403 155.0
[M+K]+ 191.968738 143.1
[M+H-H2O]+ 136.002840 123.8
[M+HCOO]- 198.003781 149.2
[M+CH3COO]- 212.019431 181.2
[M+Na-2H]- 173.980246 136.2
[M]+ 153.00503142 130.5
[M]- 153.00612858 130.5
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