CID 15783

Tetrafluoroterephthalonitrile

Structural Information

Molecular Formula
C8F4N2
SMILES
C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F
InChI
InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
InChIKey
PCRSJGWFEMHHEW-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

2058
Patents

199.99976 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00704 136.4
[M+Na]+ 222.98898 148.4
[M-H]- 198.99248 137.1
[M+NH4]+ 218.03358 149.4
[M+K]+ 238.96292 145.2
[M+H-H2O]+ 182.99702 120.2
[M+HCOO]- 244.99796 147.6
[M+CH3COO]- 259.01361 218.3
[M+Na-2H]- 220.97443 137.9
[M]+ 199.99921 126.0
[M]- 200.00031 126.0
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

patents stripe