CID 167741349

1-(2-bromoethyl)-3,3-difluoroazetidine

Structural Information

Molecular Formula

C₅H₈BrF₂N

SMILES

C1C(CN1CCBr)(F)F

InChI

InChI=1S/C5H8BrF2N/c6-1-2-9-3-5(7,8)4-9/h1-4H2

InChIKey

LPCUPDFSFFKXSB-UHFFFAOYSA-N

Compound name

1-(2-bromoethyl)-3,3-difluoroazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.98082 Da
Monoisotopic Mass: 1.5
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]+	199.98810	125.4
[M+Na]+	221.97004	136.8
[M-H]-	197.97354	128.4
[M+NH4]+	217.01464	143.1
[M+K]+	237.94398	129.5
[M+H-H2O]+	181.97808	121.1
[M+HCOO]-	243.97902	142.7
[M+CH3COO]-	257.99467	184.9
[M+Na-2H]-	219.95549	133.6
[M]+	198.98027	148.7
[M]-	198.98137	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.