CID 2734326

4-cyanophenylboronic acid

Structural Information

Molecular Formula
C7H6BNO2
SMILES
B(C1=CC=C(C=C1)C#N)(O)O
InChI
InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H
InChIKey
CEBAHYWORUOILU-UHFFFAOYSA-N
Compound name
(4-cyanophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

8766
Patents

147.04916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.056436 130.6
[M+Na]+ 170.038378 140.4
[M-H]- 146.041884 131.9
[M+NH4]+ 165.082983 148.6
[M+K]+ 186.012318 137.5
[M+H-H2O]+ 130.046420 119.2
[M+HCOO]- 192.047361 148.7
[M+CH3COO]- 206.063011 183.1
[M+Na-2H]- 168.023826 136.0
[M]+ 147.04861142 124.0
[M]- 147.04970858 124.0
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