CID 100542

67205-66-7

Structural Information

Molecular Formula
C9H4F3N3
SMILES
CNC1=C(C(=C(C(=C1F)C#N)F)F)C#N
InChI
InChI=1S/C9H4F3N3/c1-15-9-5(3-14)7(11)6(10)4(2-13)8(9)12/h15H,1H3
InChIKey
OJSNRQJWQXFBGJ-UHFFFAOYSA-N
Compound name
2,3,5-trifluoro-6-(methylamino)benzene-1,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.03574 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04302 144.9
[M+Na]+ 234.02496 155.9
[M-H]- 210.02846 146.2
[M+NH4]+ 229.06956 157.3
[M+K]+ 249.99890 153.0
[M+H-H2O]+ 194.03300 128.8
[M+HCOO]- 256.03394 156.9
[M+CH3COO]- 270.04959 221.5
[M+Na-2H]- 232.01041 146.1
[M]+ 211.03519 134.8
[M]- 211.03629 134.8
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.