CID 11543540

Pme-5fc

Structural Information

Molecular Formula

C₇H₁₁FN₃O₅P

SMILES

C1=C(C(=NC(=O)N1CCOCP(=O)(O)O)N)F

InChI

InChI=1S/C7H11FN3O5P/c8-5-3-11(7(12)10-6(5)9)1-2-16-4-17(13,14)15/h3H,1-2,4H2,(H2,9,10,12)(H2,13,14,15)

InChIKey

BONHUVYFXXMJFR-UHFFFAOYSA-N

Compound name

2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)ethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 267.04202 Da
Monoisotopic Mass: -2.7
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]+	268.04930	154.7
[M+Na]+	290.03124	163.4
[M-H]-	266.03474	150.9
[M+NH4]+	285.07584	167.3
[M+K]+	306.00518	161.2
[M+H-H2O]+	250.03928	144.5
[M+HCOO]-	312.04022	178.3
[M+CH3COO]-	326.05587	192.9
[M+Na-2H]-	288.01669	156.8
[M]+	267.04147	155.6
[M]-	267.04257	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe