CID 2776741

2,3,3,3-tetrafluoropropionitrile

Structural Information

Molecular Formula

SMILES

C(#N)C(C(F)(F)F)F

InChI

InChI=1S/C3HF4N/c4-2(1-8)3(5,6)7/h2H

InChIKey

CFPAMJZAMYOJER-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoropropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 127.00451 Da
Monoisotopic Mass: 1.5
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]+	128.01179	112.3
[M+Na]+	149.99373	122.2
[M-H]-	125.99723	108.7
[M+NH4]+	145.03833	132.1
[M+K]+	165.96767	122.2
[M+H-H2O]+	110.00177	99.0
[M+HCOO]-	172.00271	127.6
[M+CH3COO]-	186.01836	184.5
[M+Na-2H]-	147.97918	118.2
[M]+	127.00396	101.8
[M]-	127.00506	101.8

Literature stripe

literature stripe

Patent stripe

patents stripe