CID 17178

Tridodecyl borate

Structural Information

Molecular Formula
C36H75BO3
SMILES
B(OCCCCCCCCCCCC)(OCCCCCCCCCCCC)OCCCCCCCCCCCC
InChI
InChI=1S/C36H75BO3/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKey
HWJYGSDXNANCJM-UHFFFAOYSA-N
Compound name
tridodecyl borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

629
Patents

566.58093 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.58821 261.6
[M+Na]+ 589.57015 265.7
[M-H]- 565.57365 241.4
[M+NH4]+ 584.61475 260.4
[M+K]+ 605.54409 267.6
[M+H-H2O]+ 549.57819 261.1
[M+HCOO]- 611.57913 267.6
[M+CH3COO]- 625.59478 263.7
[M+Na-2H]- 587.55560 243.9
[M]+ 566.58038 262.4
[M]- 566.58148 262.4
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