PubChemLite - 345-02-8 (C10H12F3N2O8P)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)COP(=O)(O)O)O

InChI

InChI=1S/C10H12F3N2O8P/c11-10(12,13)4-2-15(9(18)14-8(4)17)7-1-5(16)6(23-7)3-22-24(19,20)21/h2,5-7,16H,1,3H2,(H,14,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1

InChIKey

AOHHEIONYLEPLB-RRKCRQDMSA-N

Compound name

[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl 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]+	377.03563	174.3
[M+Na]+	399.01757	182.1
[M-H]-	375.02107	169.8
[M+NH4]+	394.06217	181.6
[M+K]+	414.99151	180.6
[M+H-H2O]+	359.02561	163.4
[M+HCOO]-	421.02655	188.6
[M+CH3COO]-	435.04220	204.1
[M+Na-2H]-	397.00302	174.0
[M]+	376.02780	171.4
[M]-	376.02890	171.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.03563

174.3

[M+Na]+

399.01757

182.1

[M-H]-

375.02107

169.8

[M+NH4]+

394.06217

181.6

[M+K]+

414.99151

180.6

[M+H-H2O]+

359.02561

163.4

[M+HCOO]-

421.02655

188.6

[M+CH3COO]-

435.04220

204.1

[M+Na-2H]-

397.00302

174.0

[M]+

376.02780

171.4

[M]-

376.02890

171.4

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

345-02-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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