CID 21899628

2225136-14-9

Structural Information

Molecular Formula

C₅H₆F₂N₂

SMILES

C1C(NCC1(F)F)C#N

InChI

InChI=1S/C5H6F2N2/c6-5(7)1-4(2-8)9-3-5/h4,9H,1,3H2

InChIKey

WUYQBXHBLXPWNV-UHFFFAOYSA-N

Compound name

4,4-difluoropyrrolidine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 132.04991 Da
Monoisotopic Mass: 0.4
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]+	133.057186	117.9
[M+Na]+	155.039128	128.3
[M-H]-	131.042634	116.4
[M+NH4]+	150.083733	139.1
[M+K]+	171.013068	125.0
[M+H-H2O]+	115.047170	104.9
[M+HCOO]-	177.048111	133.8
[M+CH3COO]-	191.063761	181.1
[M+Na-2H]-	153.024576	123.1
[M]+	132.04936142	106.9
[M]-	132.05045858	106.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe