CID 118989141

(5-cyanothiophen-3-yl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

153.00558 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01286 134.8
[M+Na]+ 175.99480 145.7
[M-H]- 151.99830 137.1
[M+NH4]+ 171.03940 155.0
[M+K]+ 191.96874 143.1
[M+H-H2O]+ 136.00284 123.8
[M+HCOO]- 198.00378 149.2
[M+CH3COO]- 212.01943 181.2
[M+Na-2H]- 173.98025 136.2
[M]+ 153.00503 130.5
[M]- 153.00613 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