CID 75530461

3-(trifluoromethoxy)azetidine hydrochloride

Structural Information

Molecular Formula

SMILES

C1C(CN1)OC(F)(F)F

InChI

InChI=1S/C4H6F3NO/c5-4(6,7)9-3-1-8-2-3/h3,8H,1-2H2

InChIKey

AQJPOLHQCSQUHQ-UHFFFAOYSA-N

Compound name

3-(trifluoromethoxy)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 141.04015 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]+	142.04743	135.7
[M+Na]+	164.02937	138.9
[M+NH4]+	159.07397	137.5
[M+K]+	180.00331	136.6
[M-H]-	140.03287	128.6
[M+Na-2H]-	162.01482	135.6
[M]+	141.03960	132.6
[M]-	141.04070	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe