CID 72218472

1630906-35-2

Structural Information

Molecular Formula

C₇H₁₁F₂N

SMILES

C1CC2(CC2(F)F)CNC1

InChI

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

InChIKey

QSPBRUMTUBKORH-UHFFFAOYSA-N

Compound name

2,2-difluoro-5-azaspiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
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	131.0
[M+Na]+	170.07517	139.8
[M-H]-	146.07867	132.3
[M+NH4]+	165.11977	149.3
[M+K]+	186.04911	138.1
[M+H-H2O]+	130.08321	124.2
[M+HCOO]-	192.08415	146.8
[M+CH3COO]-	206.09980	173.9
[M+Na-2H]-	168.06062	138.2
[M]+	147.08540	125.1
[M]-	147.08650	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe