CID 2724934

140681-55-6

Structural Information

Molecular Formula

C₇H₁₄ClFN₂

SMILES

C1C[N+]2(CC[N+]1(CC2)CCl)F

InChI

InChI=1S/C7H14ClFN2/c8-7-10-1-4-11(9,5-2-10)6-3-10/h1-7H2/q+2

InChIKey

ZQGDSZPGKPJABN-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 49
References: 10724
Patents: 180.08295 Da
Monoisotopic Mass: 1.1
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]+	181.09023	128.5
[M+Na]+	203.07217	134.8
[M-H]-	179.07567	122.0
[M+NH4]+	198.11677	154.1
[M+K]+	219.04611	121.2
[M+H-H2O]+	163.08021	127.6
[M+HCOO]-	225.08115	132.8
[M+CH3COO]-	239.09680	170.9
[M+Na-2H]-	201.05762	146.0
[M]+	180.08240	125.9
[M]-	180.08350	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe