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

37
Patents

398.25037 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.25765 211.6
[M+Na]+ 421.23959 214.8
[M-H]- 397.24309 212.3
[M+NH4]+ 416.28419 224.7
[M+K]+ 437.21353 214.0
[M+H-H2O]+ 381.24763 201.5
[M+HCOO]- 443.24857 234.0
[M+CH3COO]- 457.26422 230.4
[M+Na-2H]- 419.22504 208.5
[M]+ 398.24982 218.6
[M]- 398.25092 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