CID 82327

Tetradecyl dihydrogen phosphate

Structural Information

Molecular Formula

C₁₄H₃₁O₄P

SMILES

CCCCCCCCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)

InChIKey

KRIXEEBVZRZHOS-UHFFFAOYSA-N

Compound name

tetradecyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 3469
Patents: 294.19598 Da
Monoisotopic Mass: 5.1
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]+	295.20326	180.5
[M+Na]+	317.18520	183.6
[M-H]-	293.18870	175.3
[M+NH4]+	312.22980	195.2
[M+K]+	333.15914	180.9
[M+H-H2O]+	277.19324	172.4
[M+HCOO]-	339.19418	203.2
[M+CH3COO]-	353.20983	200.5
[M+Na-2H]-	315.17065	179.5
[M]+	294.19543	187.2
[M]-	294.19653	187.2

Literature stripe

literature stripe

Patent stripe

patents stripe