CID 126970410

1638772-18-5

Structural Information

Molecular Formula

SMILES

CC1C(CN1)(F)F

InChI

InChI=1S/C4H7F2N/c1-3-4(5,6)2-7-3/h3,7H,2H2,1H3

InChIKey

KKGBXWWINMKIKP-UHFFFAOYSA-N

Compound name

3,3-difluoro-2-methylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 107.05466 Da
Monoisotopic Mass: 0.7
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	117.6
[M+Na]+	130.04388	125.7
[M-H]-	106.04738	116.7
[M+NH4]+	125.08848	134.3
[M+K]+	146.01782	127.1
[M+H-H2O]+	90.051920	107.5
[M+HCOO]-	152.05286	135.6
[M+CH3COO]-	166.06851	169.1
[M+Na-2H]-	128.02933	124.2
[M]+	107.05411	121.0
[M]-	107.05521	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe