CID 154810011

2708341-81-3

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

CC([C@@H]1CCNC1)(F)F

InChI

InChI=1S/C6H11F2N/c1-6(7,8)5-2-3-9-4-5/h5,9H,2-4H2,1H3/t5-/m1/s1

InChIKey

HCZBFTRLBDGZJS-RXMQYKEDSA-N

Compound name

(3R)-3-(1,1-difluoroethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 135.08595 Da
Monoisotopic Mass: 1.2
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]+	136.09323	126.7
[M+Na]+	158.07517	133.2
[M-H]-	134.07867	124.4
[M+NH4]+	153.11977	148.0
[M+K]+	174.04911	131.5
[M+H-H2O]+	118.08321	119.8
[M+HCOO]-	180.08415	143.5
[M+CH3COO]-	194.09980	169.0
[M+Na-2H]-	156.06062	131.1
[M]+	135.08540	119.0
[M]-	135.08650	119.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe