CID 21423

Trihexyl borate

Structural Information

Molecular Formula
C18H39BO3
SMILES
B(OCCCCCC)(OCCCCCC)OCCCCCC
InChI
InChI=1S/C18H39BO3/c1-4-7-10-13-16-20-19(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey
KDQYHGMMZKMQAA-UHFFFAOYSA-N
Compound name
trihexyl borate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1699
Patents

314.29922 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.30650 186.2
[M+Na]+ 337.28844 187.8
[M-H]- 313.29194 184.0
[M+NH4]+ 332.33304 201.0
[M+K]+ 353.26238 186.2
[M+H-H2O]+ 297.29648 178.9
[M+HCOO]- 359.29742 205.5
[M+CH3COO]- 373.31307 212.2
[M+Na-2H]- 335.27389 185.3
[M]+ 314.29867 196.2
[M]- 314.29977 196.2
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.