CID 11810147

1,4-bis(di-tert-butylphosphino)butane

Structural Information

Molecular Formula
C20H44P2
SMILES
CC(C)(C)P(CCCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C20H44P2/c1-17(2,3)21(18(4,5)6)15-13-14-16-22(19(7,8)9)20(10,11)12/h13-16H2,1-12H3
InChIKey
UIYGJYHQLCCIQS-UHFFFAOYSA-N
Compound name
ditert-butyl(4-ditert-butylphosphanylbutyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

346.29184 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29912 207.1
[M+Na]+ 369.28106 209.7
[M-H]- 345.28456 187.0
[M+NH4]+ 364.32566 197.3
[M+K]+ 385.25500 208.2
[M+H-H2O]+ 329.28910 198.6
[M+HCOO]- 391.29004 207.1
[M+CH3COO]- 405.30569 224.3
[M+Na-2H]- 367.26651 202.5
[M]+ 346.29129 194.5
[M]- 346.29239 194.5
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