CID 172819

Einecs 275-591-3

Structural Information

Molecular Formula
C19H31O3P
SMILES
CC1(COP(OC1)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C
InChI
InChI=1S/C19H31O3P/c1-17(2,3)14-9-10-16(15(11-14)18(4,5)6)22-23-20-12-19(7,8)13-21-23/h9-11H,12-13H2,1-8H3
InChIKey
DLOCWLUOVMSSII-UHFFFAOYSA-N
Compound name
2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

338.20108 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20836 186.7
[M+Na]+ 361.19030 192.4
[M-H]- 337.19380 193.2
[M+NH4]+ 356.23490 200.9
[M+K]+ 377.16424 193.2
[M+H-H2O]+ 321.19834 178.4
[M+HCOO]- 383.19928 205.9
[M+CH3COO]- 397.21493 214.1
[M+Na-2H]- 359.17575 188.7
[M]+ 338.20053 190.4
[M]- 338.20163 190.4
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