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]+ 215.079056 143.4
[M+Na]+ 237.060998 152.4
[M-H]- 213.064504 142.9
[M+NH4]+ 232.105603 159.7
[M+K]+ 253.034938 149.3
[M+H-H2O]+ 197.069040 128.8
[M+HCOO]- 259.069981 159.7
[M+CH3COO]- 273.085631 201.7
[M+Na-2H]- 235.046446 147.7
[M]+ 214.07123142 133.7
[M]- 214.07232858 133.7
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.