CID 135392139

2408959-03-3

Structural Information

Molecular Formula

C₇H₁₁F₂N

SMILES

C1CNCC12CC(C2)(F)F

InChI

InChI=1S/C7H11F2N/c8-7(9)3-6(4-7)1-2-10-5-6/h10H,1-5H2

InChIKey

UEZPNWYUWUNQGA-UHFFFAOYSA-N

Compound name

2,2-difluoro-6-azaspiro[3.4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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	127.8
[M+Na]+	170.07517	134.6
[M-H]-	146.07867	128.5
[M+NH4]+	165.11977	146.5
[M+K]+	186.04911	134.6
[M+H-H2O]+	130.08321	117.8
[M+HCOO]-	192.08415	144.4
[M+CH3COO]-	206.09980	173.2
[M+Na-2H]-	168.06062	133.2
[M]+	147.08540	128.6
[M]-	147.08650	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe