CID 452312

Palmityl foscarnet

Structural Information

Molecular Formula

C₁₇H₃₅O₅P

SMILES

CCCCCCCCCCCCCCCCOP(=O)(C(=O)O)O

InChI

InChI=1S/C17H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-23(20,21)17(18)19/h2-16H2,1H3,(H,18,19)(H,20,21)

InChIKey

PGHOBRCXAVJNSY-UHFFFAOYSA-N

Compound name

[hexadecoxy(hydroxy)phosphoryl]formic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 350.2222 Da
Monoisotopic Mass: 6.5
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]+	351.22948	194.9
[M+Na]+	373.21142	196.6
[M-H]-	349.21492	189.1
[M+NH4]+	368.25602	187.9
[M+K]+	389.18536	193.7
[M+H-H2O]+	333.21946	186.2
[M+HCOO]-	395.22040	202.4
[M+CH3COO]-	409.23605	211.4
[M+Na-2H]-	371.19687	191.4
[M]+	350.22165	202.8
[M]-	350.22275	202.8

Literature stripe

literature stripe

Patent stripe

patents stripe