CID 109471

68555-83-9

Structural Information

Molecular Formula
C27H51BBr6O9
SMILES
B(OCC(CC)(CO)COCC(CBr)Br)(OCC(CC)(CO)COCC(CBr)Br)OCC(CC)(CO)COCC(CBr)Br
InChI
InChI=1S/C27H51BBr6O9/c1-4-25(13-35,16-38-10-22(32)7-29)19-41-28(42-20-26(5-2,14-36)17-39-11-23(33)8-30)43-21-27(6-3,15-37)18-40-12-24(34)9-31/h22-24,35-37H,4-21H2,1-3H3
InChIKey
ZRTVLFVQRKJFCJ-UHFFFAOYSA-N
Compound name
tris[2-(2,3-dibromopropoxymethyl)-2-(hydroxymethyl)butyl] borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1003.8726 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1004.8799 277.9
[M+Na]+ 1026.8618 277.9
[M+NH4]+ 1021.9064 277.9
[M+K]+ 1042.8358 277.9
[M-H]- 1002.8653 277.9
[M+Na-2H]- 1024.8473 277.9
[M]+ 1003.8721 277.9
[M]- 1003.8731 277.9
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.