CID 45158887

2-cyanomethoxyphenylboronic acid

Structural Information

Molecular Formula
C8H8BNO3
SMILES
B(C1=CC=CC=C1OCC#N)(O)O
InChI
InChI=1S/C8H8BNO3/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4,11-12H,6H2
InChIKey
WEQORYHQXMDPJU-UHFFFAOYSA-N
Compound name
[2-(cyanomethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

177.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06700 136.5
[M+Na]+ 200.04894 147.2
[M+NH4]+ 195.09354 140.3
[M+K]+ 216.02288 139.5
[M-H]- 176.05244 129.7
[M+Na-2H]- 198.03439 139.4
[M]+ 177.05917 135.0
[M]- 177.06027 135.0
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