CID 17763141

4-[(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)oxy]phenol

Structural Information

Molecular Formula
C12H7F11O2
SMILES
C1=CC(=CC=C1O)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F11O2/c13-8(14,5-25-7-3-1-6(24)2-4-7)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-4,24H,5H2
InChIKey
VQRKSWKQONXOSI-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

392.02704 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.03432 176.3
[M+Na]+ 415.01626 185.4
[M-H]- 391.01976 165.7
[M+NH4]+ 410.06086 186.3
[M+K]+ 430.99020 180.9
[M+H-H2O]+ 375.02430 162.7
[M+HCOO]- 437.02524 179.0
[M+CH3COO]- 451.04089 216.3
[M+Na-2H]- 413.00171 179.6
[M]+ 392.02649 160.9
[M]- 392.02759 160.9
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