CID 155973175

Potassium trifluoro[4-(methoxycarbonyl)bicyclo[2.2.2]octan-1-yl]boranuide

Structural Information

Molecular Formula
C10H15BF3O2
SMILES
[B-](C12CCC(CC1)(CC2)C(=O)OC)(F)(F)F
InChI
InChI=1S/C10H15BF3O2/c1-16-8(15)9-2-5-10(6-3-9,7-4-9)11(12,13)14/h2-7H2,1H3/q-1
InChIKey
QWJNUOZDWWLJFQ-UHFFFAOYSA-N
Compound name
trifluoro-(4-methoxycarbonyl-1-bicyclo[2.2.2]octanyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.11172 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11900 153.5
[M+Na]+ 258.10094 158.1
[M-H]- 234.10444 144.7
[M+NH4]+ 253.14554 178.4
[M+K]+ 274.07488 155.6
[M+H-H2O]+ 218.10898 149.2
[M+HCOO]- 280.10992 159.0
[M+CH3COO]- 294.12557 190.2
[M+Na-2H]- 256.08639 163.0
[M]+ 235.11117 148.8
[M]- 235.11227 148.8
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.