CID 105198

Tetraisopropyl bis(ditridecylphosphite) titanate

Structural Information

Molecular Formula

C₂₆H₅₅O₃P

SMILES

CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC

InChI

InChI=1S/C26H55O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3

InChIKey

VTIXMGZYGRZMAW-UHFFFAOYSA-N

Compound name

ditridecyl hydrogen phosphite

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3351
Patents: 446.3889 Da
Monoisotopic Mass: 11.8
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]+	447.39618	228.1
[M+Na]+	469.37812	231.9
[M-H]-	445.38162	210.5
[M+NH4]+	464.42272	225.1
[M+K]+	485.35206	228.8
[M+H-H2O]+	429.38616	221.9
[M+HCOO]-	491.38710	236.7
[M+CH3COO]-	505.40275	237.7
[M+Na-2H]-	467.36357	223.7
[M]+	446.38835	225.2
[M]-	446.38945	225.2

Literature stripe

literature stripe

Patent stripe

patents stripe