CID 17843933

Boric acid, phenylmethyl ester

Structural Information

Molecular Formula
C7H9BO3
SMILES
B(O)(O)OCC1=CC=CC=C1
InChI
InChI=1S/C7H9BO3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChIKey
CTXKJNCPTVBAAU-UHFFFAOYSA-N
Compound name
phenylmethoxyboronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

224
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071746 128.5
[M+Na]+ 175.053688 135.2
[M-H]- 151.057194 129.5
[M+NH4]+ 170.098293 148.1
[M+K]+ 191.027628 133.8
[M+H-H2O]+ 135.061730 123.2
[M+HCOO]- 197.062671 150.2
[M+CH3COO]- 211.078321 169.3
[M+Na-2H]- 173.039136 135.2
[M]+ 152.06392142 127.9
[M]- 152.06501858 127.9
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