CID 197864

Pmbbp

Structural Information

Molecular Formula
C19H22B2O4
SMILES
B1(OCC2(CO1)COB(OC2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C19H22B2O4/c1-15-3-7-17(8-4-15)20-22-11-19(12-23-20)13-24-21(25-14-19)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey
LIKRJSWBWZSSLR-UHFFFAOYSA-N
Compound name
3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxa-3,9-diboraspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1704 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17768 180.6
[M+Na]+ 359.15962 185.9
[M-H]- 335.16312 193.9
[M+NH4]+ 354.20422 190.4
[M+K]+ 375.13356 187.3
[M+H-H2O]+ 319.16766 170.9
[M+HCOO]- 381.16860 193.6
[M+CH3COO]- 395.18425 190.8
[M+Na-2H]- 357.14507 185.6
[M]+ 336.16985 178.5
[M]- 336.17095 178.5
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

No patent data available for this compound.