CID 105426972

2231665-58-8

Structural Information

Molecular Formula

SMILES

C1CNC1C(F)F

InChI

InChI=1S/C4H7F2N/c5-4(6)3-1-2-7-3/h3-4,7H,1-2H2

InChIKey

XNXYWBFKPOTFKD-UHFFFAOYSA-N

Compound name

2-(difluoromethyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 107.05466 Da
Monoisotopic Mass: 0.8
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]+	108.06194	118.2
[M+Na]+	130.04388	124.1
[M-H]-	106.04738	116.4
[M+NH4]+	125.08848	132.5
[M+K]+	146.01782	126.0
[M+H-H2O]+	90.051920	106.4
[M+HCOO]-	152.05286	135.2
[M+CH3COO]-	166.06851	169.2
[M+Na-2H]-	128.02933	123.1
[M]+	107.05411	120.2
[M]-	107.05521	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe