CID 68239

Tetrafluoro-1,4-benzoquinone

Structural Information

Molecular Formula
C6F4O2
SMILES
C1(=C(C(=O)C(=C(C1=O)F)F)F)F
InChI
InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKey
JKLYZOGJWVAIQS-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1968
Patents

179.98344 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.99072 122.5
[M+Na]+ 202.97266 135.5
[M-H]- 178.97616 122.6
[M+NH4]+ 198.01726 143.4
[M+K]+ 218.94660 132.8
[M+H-H2O]+ 162.98070 114.8
[M+HCOO]- 224.98164 143.1
[M+CH3COO]- 238.99729 181.9
[M+Na-2H]- 200.95811 125.8
[M]+ 179.98289 118.5
[M]- 179.98399 118.5
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