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

0
Patents

511.98877 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.99605 167.5
[M+Na]+ 534.97799 173.1
[M-H]- 510.98149 173.4
[M+NH4]+ 530.02259 179.2
[M+K]+ 550.95193 184.1
[M+H-H2O]+ 494.98603 158.3
[M+HCOO]- 556.98697 177.3
[M+CH3COO]- 571.00262 233.8
[M+Na-2H]- 532.96344 167.2
[M]+ 511.98822 160.9
[M]- 511.98932 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.