CID 5255840

2,5-difluoro-7,7,8,8-tetracyanoquinodimethane

Structural Information

Molecular Formula
C12H2F2N4
SMILES
C1=C(C(=C(C#N)C#N)C=C(C1=C(C#N)C#N)F)F
InChI
InChI=1S/C12H2F2N4/c13-11-1-9(7(3-15)4-16)12(14)2-10(11)8(5-17)6-18/h1-2H
InChIKey
PFSDYUVXXQTNMX-UHFFFAOYSA-N
Compound name
2-[4-(dicyanomethylidene)-2,5-difluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

548
Patents

240.02475 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03203 164.3
[M+Na]+ 263.01397 169.3
[M-H]- 239.01747 167.5
[M+NH4]+ 258.05857 167.8
[M+K]+ 278.98791 167.0
[M+H-H2O]+ 223.02201 155.8
[M+HCOO]- 285.02295 165.4
[M+CH3COO]- 299.03860 247.5
[M+Na-2H]- 260.99942 161.0
[M]+ 240.02420 158.2
[M]- 240.02530 158.2
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