CID 25112532

139494-68-1

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 159.2
[M+Na]+ 534.97799 159.3
[M+NH4]+ 530.02259 159.1
[M+K]+ 550.95193 159.9
[M-H]- 510.98149 158.2
[M+Na-2H]- 532.96344 159.8
[M]+ 511.98822 158.9
[M]- 511.98932 158.9
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.