CID 68518

Dicyclohexyl fluorophosphonate

Structural Information

Molecular Formula

C₁₂H₂₂FO₃P

SMILES

C1CCC(CC1)OP(=O)(OC2CCCCC2)F

InChI

InChI=1S/C12H22FO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey

NLPYJEIDHPZCCR-UHFFFAOYSA-N

Compound name

[cyclohexyloxy(fluoro)phosphoryl]oxycyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 264.12906 Da
Monoisotopic Mass: 3.6
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]+	265.13634	161.6
[M+Na]+	287.11828	162.7
[M-H]-	263.12178	163.4
[M+NH4]+	282.16288	177.5
[M+K]+	303.09222	161.5
[M+H-H2O]+	247.12632	151.3
[M+HCOO]-	309.12726	181.1
[M+CH3COO]-	323.14291	193.6
[M+Na-2H]-	285.10373	161.0
[M]+	264.12851	154.6
[M]-	264.12961	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe