CID 75143

2197-63-9

Structural Information

Molecular Formula

C₃₂H₆₇O₄P

SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)

InChIKey

RNPXCFINMKSQPQ-UHFFFAOYSA-N

Compound name

dihexadecyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 248
References: 20433
Patents: 546.4777 Da
Monoisotopic Mass: 14.5
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]+	547.484976	245.4
[M+Na]+	569.466918	247.4
[M-H]-	545.470424	227.8
[M+NH4]+	564.511523	243.2
[M+K]+	585.440858	247.3
[M+H-H2O]+	529.474960	235.3
[M+HCOO]-	591.475901	255.9
[M+CH3COO]-	605.491551	255.8
[M+Na-2H]-	567.452366	226.2
[M]+	546.47715142	243.4
[M]-	546.47824858	243.4

Literature stripe

literature stripe

Patent stripe

patents stripe