CID 3050968

67205-67-8

Structural Information

Molecular Formula
C10H6F3N3
SMILES
CCNC1=C(C(=C(C(=C1F)C#N)F)F)C#N
InChI
InChI=1S/C10H6F3N3/c1-2-16-10-6(4-15)8(12)7(11)5(3-14)9(10)13/h16H,2H2,1H3
InChIKey
ZUHJTCHKKSRDOL-UHFFFAOYSA-N
Compound name
2-(ethylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.05138 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.058656 147.6
[M+Na]+ 248.040598 158.4
[M-H]- 224.044104 148.8
[M+NH4]+ 243.085203 159.7
[M+K]+ 264.014538 155.3
[M+H-H2O]+ 208.048640 131.4
[M+HCOO]- 270.049581 159.4
[M+CH3COO]- 284.065231 223.5
[M+Na-2H]- 246.026046 148.4
[M]+ 225.05083142 137.8
[M]- 225.05192858 137.8
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.