CID 5202429

1,4-di-tert-butyl-2,3,5,6-tetrafluorobenzene

Structural Information

Molecular Formula
C14H18F4
SMILES
CC(C)(C)C1=C(C(=C(C(=C1F)F)C(C)(C)C)F)F
InChI
InChI=1S/C14H18F4/c1-13(2,3)7-9(15)11(17)8(14(4,5)6)12(18)10(7)16/h1-6H3
InChIKey
SOUQAPNRIRYTOB-UHFFFAOYSA-N
Compound name
1,4-ditert-butyl-2,3,5,6-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

425
Patents

262.13446 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14174 172.3
[M+Na]+ 285.12368 181.0
[M+NH4]+ 280.16828 176.8
[M+K]+ 301.09762 175.2
[M-H]- 261.12718 168.2
[M+Na-2H]- 283.10913 173.8
[M]+ 262.13391 172.3
[M]- 262.13501 172.3
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