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 143.4
[M+Na]+ 237.06100 152.4
[M-H]- 213.06450 142.9
[M+NH4]+ 232.10560 159.7
[M+K]+ 253.03494 149.3
[M+H-H2O]+ 197.06904 128.8
[M+HCOO]- 259.06998 159.7
[M+CH3COO]- 273.08563 201.7
[M+Na-2H]- 235.04645 147.7
[M]+ 214.07123 133.7
[M]- 214.07233 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.