CID 557982

Dicyclohexylphosphinyl chloride

Structural Information

Molecular Formula
C12H22ClOP
SMILES
C1CCC(CC1)P(=O)(C2CCCCC2)Cl
InChI
InChI=1S/C12H22ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
HKYSIUYOULVHTO-UHFFFAOYSA-N
Compound name
[chloro(cyclohexyl)phosphoryl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

248.10968 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11696 158.8
[M+Na]+ 271.09890 161.1
[M-H]- 247.10240 162.1
[M+NH4]+ 266.14350 176.6
[M+K]+ 287.07284 157.2
[M+H-H2O]+ 231.10694 150.5
[M+HCOO]- 293.10788 174.5
[M+CH3COO]- 307.12353 190.6
[M+Na-2H]- 269.08435 158.1
[M]+ 248.10913 152.3
[M]- 248.11023 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe