CID 17750522

4-benzyloxy-3-methylphenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C14H15BO3
SMILES
B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C)(O)O
InChI
InChI=1S/C14H15BO3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChIKey
QPXFEWQLALNXEZ-UHFFFAOYSA-N
Compound name
(3-methyl-4-phenylmethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

242.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11870 152.9
[M+Na]+ 265.10064 159.7
[M-H]- 241.10414 157.2
[M+NH4]+ 260.14524 169.0
[M+K]+ 281.07458 156.2
[M+H-H2O]+ 225.10868 146.0
[M+HCOO]- 287.10962 173.7
[M+CH3COO]- 301.12527 188.6
[M+Na-2H]- 263.08609 157.1
[M]+ 242.11087 153.1
[M]- 242.11197 153.1
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