CID 16218177

1072951-64-4

Structural Information

Molecular Formula
C19H25BO3
SMILES
B(C1=CC=CC=C1COC2=C(C=CC=C2C(C)C)C(C)C)(O)O
InChI
InChI=1S/C19H25BO3/c1-13(2)16-9-7-10-17(14(3)4)19(16)23-12-15-8-5-6-11-18(15)20(21)22/h5-11,13-14,21-22H,12H2,1-4H3
InChIKey
HPQFMTHWDXHLCU-UHFFFAOYSA-N
Compound name
[2-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

312.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19695 175.2
[M+Na]+ 335.17889 180.1
[M-H]- 311.18239 179.0
[M+NH4]+ 330.22349 188.5
[M+K]+ 351.15283 176.7
[M+H-H2O]+ 295.18693 167.8
[M+HCOO]- 357.18787 192.2
[M+CH3COO]- 371.20352 206.6
[M+Na-2H]- 333.16434 173.6
[M]+ 312.18912 176.3
[M]- 312.19022 176.3
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