CID 64670

23162-15-4

Structural Information

Molecular Formula
C42H87BO3
SMILES
B(OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
InChI
InChI=1S/C42H87BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-44-43(45-41-38-35-32-29-26-23-20-17-14-11-8-5-2)46-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3
InChIKey
WTBVYJWHTHPPKB-UHFFFAOYSA-N
Compound name
tritetradecyl borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

650.6748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.68208 282.1
[M+Na]+ 673.66402 285.2
[M-H]- 649.66752 259.6
[M+NH4]+ 668.70862 280.7
[M+K]+ 689.63796 289.5
[M+H-H2O]+ 633.67206 280.9
[M+HCOO]- 695.67300 285.8
[M+CH3COO]- 709.68865 280.1
[M+Na-2H]- 671.64947 261.8
[M]+ 650.67425 282.6
[M]- 650.67535 282.6
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