CID 23262451

2-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxy]ethan-1-ol

Structural Information

Molecular Formula

C₉H₇F₁₃O₂

SMILES

C(COCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C9H7F13O2/c10-4(11,3-24-2-1-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2

InChIKey

KXSPGFSJWMIFOC-UHFFFAOYSA-N

Compound name

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 394.02383 Da
Monoisotopic Mass: 3.9
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]+	395.031106	175.0
[M+Na]+	417.013048	183.3
[M-H]-	393.016554	159.4
[M+NH4]+	412.057653	155.3
[M+K]+	432.986988	180.2
[M+H-H2O]+	377.021090	161.6
[M+HCOO]-	439.022031	170.4
[M+CH3COO]-	453.037681	217.6
[M+Na-2H]-	414.998496	177.9
[M]+	394.02328142	156.2
[M]-	394.02437858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe