CID 45588143

(morpholinium-4-ylmethyl)trifluoroborate internal salt

Structural Information

Molecular Formula

C₅H₁₀BF₃NO

SMILES

[B-](CN1CCOCC1)(F)(F)F

InChI

InChI=1S/C5H10BF3NO/c7-6(8,9)5-10-1-3-11-4-2-10/h1-5H2/q-1

InChIKey

FQKLIGKQQGNVHW-UHFFFAOYSA-N

Compound name

trifluoro(morpholin-4-ylmethyl)boranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 168.08075 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.08803	129.4
[M+Na]+	191.06997	135.1
[M-H]-	167.07347	125.8
[M+NH4]+	186.11457	146.3
[M+K]+	207.04391	135.2
[M+H-H2O]+	151.07801	123.2
[M+HCOO]-	213.07895	143.3
[M+CH3COO]-	227.09460	173.1
[M+Na-2H]-	189.05542	135.3
[M]+	168.08020	119.9
[M]-	168.08130	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe