CID 19748576

2-fluoro-7,7,8,8-tetracyanoquinodimethane

Structural Information

Molecular Formula
C12H3FN4
SMILES
C1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)F
InChI
InChI=1S/C12H3FN4/c13-12-3-8(9(4-14)5-15)1-2-11(12)10(6-16)7-17/h1-3H
InChIKey
BXPLEMMFZOKIHP-UHFFFAOYSA-N
Compound name
2-[4-(dicyanomethylidene)-3-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

939
Patents

222.03418 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04146 165.9
[M+Na]+ 245.02340 170.9
[M-H]- 221.02690 169.3
[M+NH4]+ 240.06800 169.5
[M+K]+ 260.99734 168.4
[M+H-H2O]+ 205.03144 157.4
[M+HCOO]- 267.03238 167.1
[M+CH3COO]- 281.04803 246.9
[M+Na-2H]- 243.00885 162.7
[M]+ 222.03363 159.9
[M]- 222.03473 159.9
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

patents stripe