CID 12992261

1,3-bis[(di-tert-butylphosphino)oxy]benzene

Structural Information

Molecular Formula
C22H40O2P2
SMILES
CC(C)(C)P(C(C)(C)C)OC1=CC(=CC=C1)OP(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C22H40O2P2/c1-19(2,3)25(20(4,5)6)23-17-14-13-15-18(16-17)24-26(21(7,8)9)22(10,11)12/h13-16H,1-12H3
InChIKey
WSKMTURBCLMNEL-UHFFFAOYSA-N
Compound name
ditert-butyl-(3-ditert-butylphosphanyloxyphenoxy)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

398.25037 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.257646 211.6
[M+Na]+ 421.239588 214.8
[M-H]- 397.243094 212.3
[M+NH4]+ 416.284193 224.7
[M+K]+ 437.213528 214.0
[M+H-H2O]+ 381.247630 201.5
[M+HCOO]- 443.248571 234.0
[M+CH3COO]- 457.264221 230.4
[M+Na-2H]- 419.225036 208.5
[M]+ 398.24982142 218.6
[M]- 398.25091858 218.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe