CID 2782563

(perfluorocyclohexyl)methanol

Structural Information

Molecular Formula

C₇H₃F₁₁O

SMILES

C(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)O

InChI

InChI=1S/C7H3F11O/c8-2(1-19)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h19H,1H2

InChIKey

ZFHKTQUHJNUDNH-UHFFFAOYSA-N

Compound name

(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 180
Patents: 312.00082 Da
Monoisotopic Mass: 2.9
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]+	313.008096	137.3
[M+Na]+	334.990038	152.9
[M-H]-	310.993544	129.4
[M+NH4]+	330.034643	162.5
[M+K]+	350.963978	149.5
[M+H-H2O]+	294.998080	129.8
[M+HCOO]-	356.999021	145.5
[M+CH3COO]-	371.014671	203.6
[M+Na-2H]-	332.975486	142.0
[M]+	312.00027142	123.7
[M]-	312.00136858	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe