CID 139022351

2344686-04-8

Structural Information

Molecular Formula

C₇H₁₁F₂N

SMILES

C1CNC1C2CC(C2)(F)F

InChI

InChI=1S/C7H11F2N/c8-7(9)3-5(4-7)6-1-2-10-6/h5-6,10H,1-4H2

InChIKey

SAAIJRNFBWPQSM-UHFFFAOYSA-N

Compound name

2-(3,3-difluorocyclobutyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 147.08595 Da
Monoisotopic Mass: 1.4
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]+	148.09323	125.4
[M+Na]+	170.07517	130.7
[M-H]-	146.07867	127.1
[M+NH4]+	165.11977	133.5
[M+K]+	186.04911	133.8
[M+H-H2O]+	130.08321	110.9
[M+HCOO]-	192.08415	140.1
[M+CH3COO]-	206.09980	185.9
[M+Na-2H]-	168.06062	130.0
[M]+	147.08540	135.5
[M]-	147.08650	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe