CID 165943782

Potassium [(4-cyanooxan-4-yl)methyl]trifluoroboranuide

Structural Information

Molecular Formula
C7H10BF3NO
SMILES
[B-](CC1(CCOCC1)C#N)(F)(F)F
InChI
InChI=1S/C7H10BF3NO/c9-8(10,11)5-7(6-12)1-3-13-4-2-7/h1-5H2/q-1
InChIKey
JCCIRKKHKPCMFV-UHFFFAOYSA-N
Compound name
(4-cyanooxan-4-yl)methyl-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08075 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08803 132.2
[M+Na]+ 215.06997 140.5
[M-H]- 191.07347 130.6
[M+NH4]+ 210.11457 149.6
[M+K]+ 231.04391 138.7
[M+H-H2O]+ 175.07801 121.1
[M+HCOO]- 237.07895 144.5
[M+CH3COO]- 251.09460 189.9
[M+Na-2H]- 213.05542 138.3
[M]+ 192.08020 119.4
[M]- 192.08130 119.4
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.