CID 70421

Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester

Structural Information

Molecular Formula
C19H33O4P
SMILES
CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC
InChI
InChI=1S/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3
InChIKey
GJDRKHHGPHLVNI-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16033
Patents

356.21164 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21892 191.9
[M+Na]+ 379.20086 198.0
[M-H]- 355.20436 193.1
[M+NH4]+ 374.24546 205.8
[M+K]+ 395.17480 196.3
[M+H-H2O]+ 339.20890 184.2
[M+HCOO]- 401.20984 212.9
[M+CH3COO]- 415.22549 216.8
[M+Na-2H]- 377.18631 192.4
[M]+ 356.21109 199.5
[M]- 356.21219 199.5
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