CID 23362294

3,3,3-trifluoro-2-phenylpropanenitrile

Structural Information

Molecular Formula
C9H6F3N
SMILES
C1=CC=C(C=C1)C(C#N)C(F)(F)F
InChI
InChI=1S/C9H6F3N/c10-9(11,12)8(6-13)7-4-2-1-3-5-7/h1-5,8H
InChIKey
GTTJSBZHRDAELL-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

185.04523 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05251 144.4
[M+Na]+ 208.03445 154.3
[M+NH4]+ 203.07905 147.6
[M+K]+ 224.00839 145.1
[M-H]- 184.03795 134.9
[M+Na-2H]- 206.01990 146.9
[M]+ 185.04468 142.2
[M]- 185.04578 142.2
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

patents stripe