CID 2763279

2-chloro-5-cyanophenylboronic acid

Structural Information

Molecular Formula
C7H5BClNO2
SMILES
B(C1=C(C=CC(=C1)C#N)Cl)(O)O
InChI
InChI=1S/C7H5BClNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,11-12H
InChIKey
YNZXUVCJPQNYHR-UHFFFAOYSA-N
Compound name
(2-chloro-5-cyanophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

181.0102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01748 131.6
[M+Na]+ 203.99942 144.0
[M+NH4]+ 199.04402 136.4
[M+K]+ 219.97336 135.7
[M-H]- 180.00292 125.5
[M+Na-2H]- 201.98487 135.3
[M]+ 181.00965 131.0
[M]- 181.01075 131.0
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