CID 92274

66165-37-5

Structural Information

Molecular Formula

C₁₇H₂₉O₄P

SMILES

CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)O

InChI

InChI=1S/C17H29O4P/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3,(H,19,20)

InChIKey

WBSRIXCTCFFHEF-UHFFFAOYSA-N

Compound name

(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6668
Patents: 328.18036 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.18764	183.5
[M+Na]+	351.16958	190.0
[M-H]-	327.17308	183.6
[M+NH4]+	346.21418	197.8
[M+K]+	367.14352	187.9
[M+H-H2O]+	311.17762	176.4
[M+HCOO]-	373.17856	203.6
[M+CH3COO]-	387.19421	208.4
[M+Na-2H]-	349.15503	184.4
[M]+	328.17981	188.4
[M]-	328.18091	188.4

Literature stripe

literature stripe

Patent stripe

patents stripe