CID 12571608

Diisobutyl phosphite

Structural Information

Molecular Formula

C₈H₁₉O₃P

SMILES

CC(C)COP(O)OCC(C)C

InChI

InChI=1S/C8H19O3P/c1-7(2)5-10-12(9)11-6-8(3)4/h7-9H,5-6H2,1-4H3

InChIKey

DVQJZMHWNRXGSM-UHFFFAOYSA-N

Compound name

bis(2-methylpropyl) hydrogen phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 395
Patents: 194.10718 Da
Monoisotopic Mass: 2.2
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]+	195.114456	150.7
[M+Na]+	217.096398	155.6
[M-H]-	193.099904	148.1
[M+NH4]+	212.141003	170.1
[M+K]+	233.070338	156.5
[M+H-H2O]+	177.104440	143.5
[M+HCOO]-	239.105381	175.2
[M+CH3COO]-	253.121031	186.0
[M+Na-2H]-	215.081846	148.5
[M]+	194.10663142	155.0
[M]-	194.10772858	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe