CID 25112532

Sodium tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride

Structural Information

Molecular Formula
C9H3BF18O3
SMILES
[B-](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H3BF18O3/c11-4(12,13)1(5(14,15)16)29-10(30-2(6(17,18)19)7(20,21)22)31-3(8(23,24)25)9(26,27)28/h1-3H/q-1
InChIKey
UCTAVWZJVMVZDL-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

511.98877 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.996046 167.5
[M+Na]+ 534.977988 173.1
[M-H]- 510.981494 173.4
[M+NH4]+ 530.022593 179.2
[M+K]+ 550.951928 184.1
[M+H-H2O]+ 494.986030 158.3
[M+HCOO]- 556.986971 177.3
[M+CH3COO]- 571.002621 233.8
[M+Na-2H]- 532.963436 167.2
[M]+ 511.98822142 160.9
[M]- 511.98931858 160.9
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.