CID 31078

Borane, tris(2-chloroethoxy)-

Structural Information

Molecular Formula
C6H12BCl3O3
SMILES
B(OCCCl)(OCCCl)OCCCl
InChI
InChI=1S/C6H12BCl3O3/c8-1-4-11-7(12-5-2-9)13-6-3-10/h1-6H2
InChIKey
ROPXAMHYCWOOOJ-UHFFFAOYSA-N
Compound name
tris(2-chloroethyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

247.9945 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00178 144.9
[M+Na]+ 270.98372 152.6
[M-H]- 246.98722 143.4
[M+NH4]+ 266.02832 163.5
[M+K]+ 286.95766 149.0
[M+H-H2O]+ 230.99176 142.5
[M+HCOO]- 292.99270 153.4
[M+CH3COO]- 307.00835 190.4
[M+Na-2H]- 268.96917 148.5
[M]+ 247.99395 152.5
[M]- 247.99505 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe