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
1
Annotation Hits

0
References

220
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07175 128.5
[M+Na]+ 175.05369 135.2
[M-H]- 151.05719 129.5
[M+NH4]+ 170.09829 148.1
[M+K]+ 191.02763 133.8
[M+H-H2O]+ 135.06173 123.2
[M+HCOO]- 197.06267 150.2
[M+CH3COO]- 211.07832 169.3
[M+Na-2H]- 173.03914 135.2
[M]+ 152.06392 127.9
[M]- 152.06502 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