CID 366555

Nsc635181

Structural Information

Molecular Formula

C₂₁H₃₇O₄P

SMILES

CC(C)OP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OC(C)C

InChI

InChI=1S/C21H37O4P/c1-14(2)24-26(23,25-15(3)4)13-16-11-17(20(5,6)7)19(22)18(12-16)21(8,9)10/h11-12,14-15,22H,13H2,1-10H3

InChIKey

OPYDNGQRKKKKNC-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-[di(propan-2-yloxy)phosphorylmethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 60
Patents: 384.24295 Da
Monoisotopic Mass: 5.6
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]+	385.25023	197.6
[M+Na]+	407.23217	202.4
[M-H]-	383.23567	198.6
[M+NH4]+	402.27677	210.3
[M+K]+	423.20611	201.5
[M+H-H2O]+	367.24021	190.1
[M+HCOO]-	429.24115	216.1
[M+CH3COO]-	443.25680	224.3
[M+Na-2H]-	405.21762	195.2
[M]+	384.24240	204.7
[M]-	384.24350	204.7

Literature stripe

literature stripe

Patent stripe

patents stripe