PubChemLite - 2-fmcdp (C10H14FN3O10P2)

Structural Information

Molecular Formula

SMILES

C1=CN(C(=O)N=C1N)[C@H]2/C(=C/F)/[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C10H14FN3O10P2/c11-3-5-8(15)6(4-22-26(20,21)24-25(17,18)19)23-9(5)14-2-1-7(12)13-10(14)16/h1-3,6,8-9,15H,4H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/b5-3+/t6-,8+,9-/m1/s1

InChIKey

VUPKAWMDMNMTNL-ASKVSEFXSA-N

Compound name

[(2R,3S,4E,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen 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]+	418.02113	182.6
[M+Na]+	440.00307	187.2
[M-H]-	416.00657	178.9
[M+NH4]+	435.04767	187.5
[M+K]+	455.97701	188.1
[M+H-H2O]+	400.01111	170.2
[M+HCOO]-	462.01205	204.4
[M+CH3COO]-	476.02770	215.4
[M+Na-2H]-	437.98852	181.9
[M]+	417.01330	182.5
[M]-	417.01440	182.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

418.02113

182.6

[M+Na]+

440.00307

187.2

[M-H]-

416.00657

178.9

[M+NH4]+

435.04767

187.5

[M+K]+

455.97701

188.1

[M+H-H2O]+

400.01111

170.2

[M+HCOO]-

462.01205

204.4

[M+CH3COO]-

476.02770

215.4

[M+Na-2H]-

437.98852

181.9

[M]+

417.01330

182.5

[M]-

417.01440

182.5

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

2-fmcdp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe