CID 23467

Didodecyl hydrogen phosphate

Structural Information

Molecular Formula

C₂₄H₅₁O₄P

SMILES

CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC

InChI

InChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)

InChIKey

JTXUVYOABGUBMX-UHFFFAOYSA-N

Compound name

didodecyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 6762
Patents: 434.3525 Da
Monoisotopic Mass: 10.2
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]+	435.35978	216.7
[M+Na]+	457.34172	220.2
[M-H]-	433.34522	202.2
[M+NH4]+	452.38632	214.7
[M+K]+	473.31566	216.7
[M+H-H2O]+	417.34976	215.0
[M+HCOO]-	479.35070	230.3
[M+CH3COO]-	493.36635	232.7
[M+Na-2H]-	455.32717	201.2
[M]+	434.35195	215.3
[M]-	434.35305	215.3

Literature stripe

literature stripe

Patent stripe

patents stripe