Hexadecyl dihydrogen phosphate (C16H35O4P)

Structural Information

Molecular Formula

C₁₆H₃₅O₄P

SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)

InChIKey

ZUVCYFMOHFTGDM-UHFFFAOYSA-N

Compound name

hexadecyl dihydrogen phosphate

Related CIDs

2D Structure

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]+	323.234576	189.7
[M+Na]+	345.216518	191.9
[M-H]-	321.220024	184.0
[M+NH4]+	340.261123	203.3
[M+K]+	361.190458	188.7
[M+H-H2O]+	305.224560	181.2
[M+HCOO]-	367.225501	211.7
[M+CH3COO]-	381.241151	206.5
[M+Na-2H]-	343.201966	187.6
[M]+	322.22675142	197.1
[M]-	322.22784858	197.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

323.234576

189.7

[M+Na]+

345.216518

191.9

[M-H]-

321.220024

184.0

[M+NH4]+

340.261123

203.3

[M+K]+

361.190458

188.7

[M+H-H2O]+

305.224560

181.2

[M+HCOO]-

367.225501

211.7

[M+CH3COO]-

381.241151

206.5

[M+Na-2H]-

343.201966

187.6

[M]+

322.22675142

197.1

[M]-

322.22784858

197.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hexadecyl dihydrogen phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe