PubChemLite - 94427-51-7 (C9H11FN3O7P)

Structural Information

Molecular Formula

SMILES

C1C2C([C@H]([C@@H](O2)N3C=C(C(=NC3=O)N)F)O)OP(=O)(O1)O

InChI

InChI=1S/C9H11FN3O7P/c10-3-1-13(9(15)12-7(3)11)8-5(14)6-4(19-8)2-18-21(16,17)20-6/h1,4-6,8,14H,2H2,(H,16,17)(H2,11,12,15)/t4?,5-,6?,8-/m1/s1

InChIKey

MSSUESDICNGFDZ-DVMOCUDESA-N

Compound name

4-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidin-2-one

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]+	324.03914	167.6
[M+Na]+	346.02108	177.0
[M-H]-	322.02458	170.0
[M+NH4]+	341.06568	178.5
[M+K]+	361.99502	177.9
[M+H-H2O]+	306.02912	157.9
[M+HCOO]-	368.03006	185.4
[M+CH3COO]-	382.04571	203.7
[M+Na-2H]-	344.00653	168.2
[M]+	323.03131	167.5
[M]-	323.03241	167.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

324.03914

167.6

[M+Na]+

346.02108

177.0

[M-H]-

322.02458

170.0

[M+NH4]+

341.06568

178.5

[M+K]+

361.99502

177.9

[M+H-H2O]+

306.02912

157.9

[M+HCOO]-

368.03006

185.4

[M+CH3COO]-

382.04571

203.7

[M+Na-2H]-

344.00653

168.2

[M]+

323.03131

167.5

[M]-

323.03241

167.5

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

94427-51-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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