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
2
Annotation Hits

0
References

450
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 154.2
[M+Na]+ 285.12368 165.5
[M-H]- 261.12718 154.1
[M+NH4]+ 280.16828 172.7
[M+K]+ 301.09762 161.8
[M+H-H2O]+ 245.13172 146.6
[M+HCOO]- 307.13266 169.7
[M+CH3COO]- 321.14831 203.1
[M+Na-2H]- 283.10913 155.7
[M]+ 262.13391 151.8
[M]- 262.13501 151.8
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