CID 71310799

Dicyclohexyl(4-isopropylphenyl)phosphine

Structural Information

Molecular Formula
C21H33P
SMILES
CC(C)C1=CC=C(C=C1)P(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C21H33P/c1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-17,19-20H,3-12H2,1-2H3
InChIKey
NPDGEUFCMFKRER-UHFFFAOYSA-N
Compound name
dicyclohexyl-(4-propan-2-ylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

316.232 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23928 183.4
[M+Na]+ 339.22122 181.6
[M-H]- 315.22472 188.6
[M+NH4]+ 334.26582 196.9
[M+K]+ 355.19516 177.5
[M+H-H2O]+ 299.22926 171.8
[M+HCOO]- 361.23020 200.9
[M+CH3COO]- 375.24585 210.7
[M+Na-2H]- 337.20667 176.2
[M]+ 316.23145 173.6
[M]- 316.23255 173.6
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