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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	393.034316	176.3
[M+Na]+	415.016258	185.4
[M-H]-	391.019764	165.7
[M+NH4]+	410.060863	186.3
[M+K]+	430.990198	180.9
[M+H-H2O]+	375.024300	162.7
[M+HCOO]-	437.025241	179.0
[M+CH3COO]-	451.040891	216.3
[M+Na-2H]-	413.001706	179.6
[M]+	392.02649142	160.9
[M]-	392.02758858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe