CID 55262359

3-cyano-4-methoxyphenylboronic acid

Structural Information

Molecular Formula
C8H8BNO3
SMILES
B(C1=CC(=C(C=C1)OC)C#N)(O)O
InChI
InChI=1S/C8H8BNO3/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-4,11-12H,1H3
InChIKey
BBOOIZOUHWDLHU-UHFFFAOYSA-N
Compound name
(3-cyano-4-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

177.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06700 135.2
[M+Na]+ 200.04894 146.2
[M+NH4]+ 195.09354 139.1
[M+K]+ 216.02288 138.9
[M-H]- 176.05244 128.5
[M+Na-2H]- 198.03439 138.0
[M]+ 177.05917 133.9
[M]- 177.06027 133.9
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