CID 52399

Brn 1715914

Structural Information

Molecular Formula
C12H18BCl9O3
SMILES
B(OC(C)(C)C(Cl)(Cl)Cl)(OC(C)(C)C(Cl)(Cl)Cl)OC(C)(C)C(Cl)(Cl)Cl
InChI
InChI=1S/C12H18BCl9O3/c1-7(2,10(14,15)16)23-13(24-8(3,4)11(17,18)19)25-9(5,6)12(20,21)22/h1-6H3
InChIKey
ZMRDGILYNGFIQT-UHFFFAOYSA-N
Compound name
tris(1,1,1-trichloro-2-methylpropan-2-yl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

535.85455 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.86183 224.7
[M+Na]+ 558.84377 223.9
[M-H]- 534.84727 214.5
[M+NH4]+ 553.88837 227.0
[M+K]+ 574.81771 224.8
[M+H-H2O]+ 518.85181 220.8
[M+HCOO]- 580.85275 197.7
[M+CH3COO]- 594.86840 237.4
[M+Na-2H]- 556.82922 217.0
[M]+ 535.85400 213.6
[M]- 535.85510 213.6
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