CID 165917262

Potassium trifluoro[3-(thian-4-yl)bicyclo[1.1.1]pentan-1-yl]boranuide

Structural Information

Molecular Formula
C10H15BF3S
SMILES
[B-](C12CC(C1)(C2)C3CCSCC3)(F)(F)F
InChI
InChI=1S/C10H15BF3S/c12-11(13,14)10-5-9(6-10,7-10)8-1-3-15-4-2-8/h8H,1-7H2/q-1
InChIKey
DYICCKGUVKNRPM-UHFFFAOYSA-N
Compound name
trifluoro-[3-(thian-4-yl)-1-bicyclo[1.1.1]pentanyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10124 151.8
[M+Na]+ 258.08318 153.0
[M-H]- 234.08668 151.6
[M+NH4]+ 253.12778 155.6
[M+K]+ 274.05712 157.5
[M+H-H2O]+ 218.09122 137.1
[M+HCOO]- 280.09216 154.7
[M+CH3COO]- 294.10781 212.4
[M+Na-2H]- 256.06863 154.8
[M]+ 235.09341 169.1
[M]- 235.09451 169.1
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.