CID 129946896

4-[2,2,2-trifluoro-1-(methylamino)ethyl]benzonitrile

Structural Information

Molecular Formula
C10H9F3N2
SMILES
CNC(C1=CC=C(C=C1)C#N)C(F)(F)F
InChI
InChI=1S/C10H9F3N2/c1-15-9(10(11,12)13)8-4-2-7(6-14)3-5-8/h2-5,9,15H,1H3
InChIKey
XCFRGHCPQMJDLT-UHFFFAOYSA-N
Compound name
4-[2,2,2-trifluoro-1-(methylamino)ethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07178 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07906 150.6
[M+Na]+ 237.06100 159.5
[M+NH4]+ 232.10560 153.2
[M+K]+ 253.03494 150.7
[M-H]- 213.06450 141.2
[M+Na-2H]- 235.04645 152.4
[M]+ 214.07123 148.2
[M]- 214.07233 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.