CID 71306268

2055840-65-6

Structural Information

Molecular Formula

SMILES

C1C2CC(C1NC2)(F)F

InChI

InChI=1S/C6H9F2N/c7-6(8)2-4-1-5(6)9-3-4/h4-5,9H,1-3H2

InChIKey

MCNXKBJSQXDOCG-UHFFFAOYSA-N

Compound name

6,6-difluoro-2-azabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 133.07031 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]+	134.07759	124.5
[M+Na]+	156.05953	133.3
[M-H]-	132.06303	122.4
[M+NH4]+	151.10413	151.5
[M+K]+	172.03347	130.6
[M+H-H2O]+	116.06757	118.7
[M+HCOO]-	178.06851	142.0
[M+CH3COO]-	192.08416	137.7
[M+Na-2H]-	154.04498	129.0
[M]+	133.06976	118.3
[M]-	133.07086	118.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe