CID 6294465

850568-53-5

Structural Information

Molecular Formula
C9H8BNO2
SMILES
B(C1=CC(=CC=C1)/C=C/C#N)(O)O
InChI
InChI=1S/C9H8BNO2/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7,12-13H/b4-2+
InChIKey
YDSLGHLJEJPWNC-DUXPYHPUSA-N
Compound name
[3-[(E)-2-cyanoethenyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

173.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07208 137.9
[M+Na]+ 196.05402 148.9
[M+NH4]+ 191.09862 141.9
[M+K]+ 212.02796 140.5
[M-H]- 172.05752 131.3
[M+Na-2H]- 194.03947 140.8
[M]+ 173.06425 136.6
[M]- 173.06535 136.6
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