CID 91663052

2-(3,4-difluorophenyl)propanedinitrile

Structural Information

Molecular Formula
C9H4F2N2
SMILES
C1=CC(=C(C=C1C(C#N)C#N)F)F
InChI
InChI=1S/C9H4F2N2/c10-8-2-1-6(3-9(8)11)7(4-12)5-13/h1-3,7H
InChIKey
XDEWAVWVTZCCRD-UHFFFAOYSA-N
Compound name
2-(3,4-difluorophenyl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03426 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04154 143.8
[M+Na]+ 201.02348 154.2
[M-H]- 177.02698 145.7
[M+NH4]+ 196.06808 157.0
[M+K]+ 216.99742 150.7
[M+H-H2O]+ 161.03152 128.0
[M+HCOO]- 223.03246 155.3
[M+CH3COO]- 237.04811 214.9
[M+Na-2H]- 199.00893 145.8
[M]+ 178.03371 134.0
[M]- 178.03481 134.0
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.