CID 43145313

[4-(but-2-en-1-yloxy)phenyl]boronic acid

Structural Information

Molecular Formula
C10H13BO3
SMILES
B(C1=CC=C(C=C1)OC/C=C/C)(O)O
InChI
InChI=1S/C10H13BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2-7,12-13H,8H2,1H3/b3-2+
InChIKey
OVGCUCIIUMMWEJ-NSCUHMNNSA-N
Compound name
[4-[(E)-but-2-enoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10306 141.6
[M+Na]+ 215.08500 152.9
[M+NH4]+ 210.12960 148.8
[M+K]+ 231.05894 147.5
[M-H]- 191.08850 142.0
[M+Na-2H]- 213.07045 146.7
[M]+ 192.09523 143.1
[M]- 192.09633 143.1
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