CID 55283621

1638761-34-8

Structural Information

Molecular Formula

SMILES

C1C2CNCC2C1(F)F

InChI

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

InChIKey

GETFYARBJRZNMZ-UHFFFAOYSA-N

Compound name

6,6-difluoro-3-azabicyclo[3.2.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 133.07031 Da
Monoisotopic Mass: 0.9
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	123.0
[M+Na]+	156.05953	130.6
[M-H]-	132.06303	122.6
[M+NH4]+	151.10413	141.4
[M+K]+	172.03347	130.8
[M+H-H2O]+	116.06757	112.9
[M+HCOO]-	178.06851	139.8
[M+CH3COO]-	192.08416	172.7
[M+Na-2H]-	154.04498	128.4
[M]+	133.06976	125.4
[M]-	133.07086	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe