CID 119032046

2-(2,3,5-trifluorophenyl)propanedinitrile

Structural Information

Molecular Formula
C9H3F3N2
SMILES
C1=C(C=C(C(=C1C(C#N)C#N)F)F)F
InChI
InChI=1S/C9H3F3N2/c10-6-1-7(5(3-13)4-14)9(12)8(11)2-6/h1-2,5H
InChIKey
VQLDASZDPSMLRZ-UHFFFAOYSA-N
Compound name
2-(2,3,5-trifluorophenyl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.02483 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03211 142.5
[M+Na]+ 219.01405 153.2
[M-H]- 195.01755 143.6
[M+NH4]+ 214.05865 155.3
[M+K]+ 234.98799 149.8
[M+H-H2O]+ 179.02209 126.3
[M+HCOO]- 241.02303 153.4
[M+CH3COO]- 255.03868 217.4
[M+Na-2H]- 216.99950 143.8
[M]+ 196.02428 132.2
[M]- 196.02538 132.2
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

No patent data available for this compound.