CID 2733307

2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane

Structural Information

Molecular Formula
C12F4N4
SMILES
C(#N)C(=C1C(=C(C(=C(C#N)C#N)C(=C1F)F)F)F)C#N
InChI
InChI=1S/C12F4N4/c13-9-7(5(1-17)2-18)10(14)12(16)8(11(9)15)6(3-19)4-20
InChIKey
IXHWGNYCZPISET-UHFFFAOYSA-N
Compound name
2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

44867
Patents

276.00592 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01320 161.0
[M+Na]+ 298.99514 165.9
[M-H]- 274.99864 163.6
[M+NH4]+ 294.03974 164.2
[M+K]+ 314.96908 164.0
[M+H-H2O]+ 259.00318 152.3
[M+HCOO]- 321.00412 161.8
[M+CH3COO]- 335.01977 248.8
[M+Na-2H]- 296.98059 157.6
[M]+ 276.00537 154.6
[M]- 276.00647 154.6
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