PubChemLite - 3'-f2-dttp (C10H15F2N2O13P3)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(F)F

InChI

InChI=1S/C10H15F2N2O13P3/c1-5-3-14(9(16)13-8(5)15)7-2-10(11,12)6(25-7)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h3,6-7H,2,4H2,1H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t6-,7-/m1/s1

InChIKey

BLKDGBHODQMJFB-RNFRBKRXSA-N

Compound name

[[(2R,5R)-3,3-difluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] 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]+	502.98278	190.2
[M+Na]+	524.96472	193.9
[M-H]-	500.96822	195.7
[M+NH4]+	520.00932	193.7
[M+K]+	540.93866	197.9
[M+H-H2O]+	484.97276	177.0
[M+HCOO]-	546.97370	217.9
[M+CH3COO]-	560.98935	225.3
[M+Na-2H]-	522.95017	188.7
[M]+	501.97495	192.6
[M]-	501.97605	192.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.98278

190.2

[M+Na]+

524.96472

193.9

[M-H]-

500.96822

195.7

[M+NH4]+

520.00932

193.7

[M+K]+

540.93866

197.9

[M+H-H2O]+

484.97276

177.0

[M+HCOO]-

546.97370

217.9

[M+CH3COO]-

560.98935

225.3

[M+Na-2H]-

522.95017

188.7

[M]+

501.97495

192.6

[M]-

501.97605

192.6

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

3'-f2-dttp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe