CID 72218506

2243521-13-1

Structural Information

Molecular Formula

C₇H₁₁F₂N

SMILES

C1CNCCC2C1C2(F)F

InChI

InChI=1S/C7H11F2N/c8-7(9)5-1-3-10-4-2-6(5)7/h5-6,10H,1-4H2

InChIKey

MIOSWEIGQFUFDC-UHFFFAOYSA-N

Compound name

8,8-difluoro-4-azabicyclo[5.1.0]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 147.08595 Da
Monoisotopic Mass: 1.2
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]+	148.09323	118.3
[M+Na]+	170.07517	125.5
[M-H]-	146.07867	119.5
[M+NH4]+	165.11977	134.4
[M+K]+	186.04911	126.2
[M+H-H2O]+	130.08321	111.6
[M+HCOO]-	192.08415	133.7
[M+CH3COO]-	206.09980	130.0
[M+Na-2H]-	168.06062	125.4
[M]+	147.08540	111.4
[M]-	147.08650	111.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe