CID 54284212

4-[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy]phenol

Structural Information

Molecular Formula
C12H9F9O2
SMILES
C1=CC(=CC=C1O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H9F9O2/c13-9(14,10(15,16)11(17,18)12(19,20)21)5-6-23-8-3-1-7(22)2-4-8/h1-4,22H,5-6H2
InChIKey
RSYKFXGHVDVTCH-UHFFFAOYSA-N
Compound name
4-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

356.04587 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05315 170.2
[M+Na]+ 379.03509 178.9
[M-H]- 355.03859 161.5
[M+NH4]+ 374.07969 182.0
[M+K]+ 395.00903 174.6
[M+H-H2O]+ 339.04313 157.8
[M+HCOO]- 401.04407 176.6
[M+CH3COO]- 415.05972 209.9
[M+Na-2H]- 377.02054 173.6
[M]+ 356.04532 158.4
[M]- 356.04642 158.4
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