CID 3050970

Brn 2878547

Structural Information

Molecular Formula
C14H14F3N3
SMILES
CCCN(CCC)C1=C(C(=C(C(=C1F)C#N)F)F)C#N
InChI
InChI=1S/C14H14F3N3/c1-3-5-20(6-4-2)14-10(8-19)12(16)11(15)9(7-18)13(14)17/h3-6H2,1-2H3
InChIKey
MOQOSQYVIZYXMK-UHFFFAOYSA-N
Compound name
2-(dipropylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.11398 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12126 180.8
[M+Na]+ 304.10320 188.8
[M+NH4]+ 299.14780 180.1
[M+K]+ 320.07714 177.5
[M-H]- 280.10670 168.7
[M+Na-2H]- 302.08865 178.5
[M]+ 281.11343 177.3
[M]- 281.11453 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.