CID 132398610

Potassium trifluoro[5-(trifluoromethyl)thiophen-2-yl]boranuide

Structural Information

Molecular Formula
C5H2BF6S
SMILES
[B-](C1=CC=C(S1)C(F)(F)F)(F)(F)F
InChI
InChI=1S/C5H2BF6S/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h1-2H/q-1
InChIKey
XUPCORGSCNKNMD-UHFFFAOYSA-N
Compound name
trifluoro-[5-(trifluoromethyl)thiophen-2-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.98744 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99472 130.5
[M+Na]+ 241.97666 140.8
[M-H]- 217.98016 125.7
[M+NH4]+ 237.02126 150.6
[M+K]+ 257.95060 137.6
[M+H-H2O]+ 201.98470 123.6
[M+HCOO]- 263.98564 141.5
[M+CH3COO]- 278.00129 181.3
[M+Na-2H]- 239.96211 131.5
[M]+ 218.98689 121.8
[M]- 218.98799 121.8
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.