CID 72257

3',3'-difluoro-3'-deoxythymidine

Structural Information

Molecular Formula
C10H12F2N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)CO)(F)F
InChI
InChI=1S/C10H12F2N2O4/c1-5-3-14(9(17)13-8(5)16)7-2-10(11,12)6(4-15)18-7/h3,6-7,15H,2,4H2,1H3,(H,13,16,17)/t6-,7-/m1/s1
InChIKey
JQMYGAWECCNTIR-RNFRBKRXSA-N
Compound name
1-[(2R,5R)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

262.0765 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08378 150.1
[M+Na]+ 285.06572 161.4
[M-H]- 261.06922 150.9
[M+NH4]+ 280.11032 165.8
[M+K]+ 301.03966 158.3
[M+H-H2O]+ 245.07376 142.4
[M+HCOO]- 307.07470 166.1
[M+CH3COO]- 321.09035 189.0
[M+Na-2H]- 283.05117 152.3
[M]+ 262.07595 148.2
[M]- 262.07705 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe