CID 69619

1h,1h,2h,2h-perfluoro-1-decanol

Structural Information

Molecular Formula

C₁₀H₅F₁₇O

SMILES

C(CO)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2

InChIKey

JJUBFBTUBACDHW-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 57
References: 2309
Patents: 464.0069 Da
Monoisotopic Mass: 5.7
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]+	465.014176	159.5
[M+Na]+	486.996118	164.5
[M-H]-	462.999624	164.5
[M+NH4]+	482.040723	166.3
[M+K]+	502.970058	172.1
[M+H-H2O]+	447.004160	175.7
[M+HCOO]-	509.005101	179.2
[M+CH3COO]-	523.020751	230.7
[M+Na-2H]-	484.981566	158.7
[M]+	464.00635142	157.8
[M]-	464.00744858	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe