CID 71440057

2,2'-spirobi(2lambda5-1,3,2-benzodioxaphosphole), 2-(isodecyloxy)-

Structural Information

Molecular Formula
C22H29O5P
SMILES
CC(C)CCCCCCCOP12(OC3=CC=CC=C3O1)OC4=CC=CC=C4O2
InChI
InChI=1S/C22H29O5P/c1-18(2)12-6-4-3-5-11-17-23-28(24-19-13-7-8-14-20(19)25-28)26-21-15-9-10-16-22(21)27-28/h7-10,13-16,18H,3-6,11-12,17H2,1-2H3
InChIKey
WPZHBDHAKMAKFW-UHFFFAOYSA-N
Compound name
2-(8-methylnonoxy)-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.17526 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18254 202.4
[M+Na]+ 427.16448 206.7
[M-H]- 403.16798 209.8
[M+NH4]+ 422.20908 213.9
[M+K]+ 443.13842 207.8
[M+H-H2O]+ 387.17252 195.0
[M+HCOO]- 449.17346 222.3
[M+CH3COO]- 463.18911 222.0
[M+Na-2H]- 425.14993 200.8
[M]+ 404.17471 210.2
[M]- 404.17581 210.2
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

No patent data available for this compound.