CID 67710

Trifluoroacetonitrile

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C2F3N/c3-2(4,5)1-6

InChIKey

SFFUEHODRAXXIA-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroacetonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2819
Patents: 94.99828 Da
Monoisotopic Mass: 1.1
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]+	96.005556	106.2
[M+Na]+	117.98750	116.8
[M-H]-	93.991004	104.1
[M+NH4]+	113.03210	127.3
[M+K]+	133.96144	116.9
[M+H-H2O]+	77.995540	94.0
[M+HCOO]-	139.99648	123.6
[M+CH3COO]-	154.01213	179.0
[M+Na-2H]-	115.97295	114.3
[M]+	94.997731	97.3
[M]-	94.998829	97.3

Literature stripe

literature stripe

Patent stripe

patents stripe