CID 2783336

2894-87-3

Structural Information

Molecular Formula
C12HF9O
SMILES
C1(=C(C(=C(C(=C1F)F)O)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C12HF9O/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H
InChIKey
MLXJPZBMOLLESC-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

340
Patents

331.98837 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.99565 184.7
[M+Na]+ 354.97759 188.7
[M+NH4]+ 350.02219 185.0
[M+K]+ 370.95153 184.5
[M-H]- 330.98109 179.4
[M+Na-2H]- 352.96304 183.5
[M]+ 331.98782 183.4
[M]- 331.98892 183.4
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