CID 2734610

2-cyanophenylboronic acid

Structural Information

Molecular Formula
C7H6BNO2
SMILES
B(C1=CC=CC=C1C#N)(O)O
InChI
InChI=1S/C7H6BNO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H
InChIKey
NPLZNDDFVCGRAG-UHFFFAOYSA-N
Compound name
(2-cyanophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2604
Patents

147.04916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05644 130.6
[M+Na]+ 170.03838 140.4
[M-H]- 146.04188 131.9
[M+NH4]+ 165.08298 148.6
[M+K]+ 186.01232 137.5
[M+H-H2O]+ 130.04642 119.2
[M+HCOO]- 192.04736 148.7
[M+CH3COO]- 206.06301 183.1
[M+Na-2H]- 168.02383 136.0
[M]+ 147.04861 124.0
[M]- 147.04971 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