CID 137952263

2219371-87-4

Structural Information

Molecular Formula

C₅H₆F₃N₃

SMILES

C1C(CN1)C2(N=N2)C(F)(F)F

InChI

InChI=1S/C5H6F3N3/c6-5(7,8)4(10-11-4)3-1-9-2-3/h3,9H,1-2H2

InChIKey

RDVWYASGAWEXQW-UHFFFAOYSA-N

Compound name

3-[3-(trifluoromethyl)diazirin-3-yl]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.05138 Da
Monoisotopic Mass: 0.9
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]+	166.05866	137.2
[M+Na]+	188.04060	146.9
[M-H]-	164.04410	136.0
[M+NH4]+	183.08520	144.2
[M+K]+	204.01454	146.4
[M+H-H2O]+	148.04864	123.5
[M+HCOO]-	210.04958	151.6
[M+CH3COO]-	224.06523	180.4
[M+Na-2H]-	186.02605	144.3
[M]+	165.05083	141.9
[M]-	165.05193	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.