CID 65510

5-chloro-2'-deoxyuridine

Structural Information

Molecular Formula
C9H11ClN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CO)O
InChI
InChI=1S/C9H11ClN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
InChIKey
NJCXGFKPQSFZIB-RRKCRQDMSA-N
Compound name
5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

86
References

569
Patents

262.03564 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04292 151.7
[M+Na]+ 285.02486 162.2
[M-H]- 261.02836 153.5
[M+NH4]+ 280.06946 165.4
[M+K]+ 300.99880 158.1
[M+H-H2O]+ 245.03290 145.7
[M+HCOO]- 307.03384 164.1
[M+CH3COO]- 321.04949 184.9
[M+Na-2H]- 283.01031 153.2
[M]+ 262.03509 152.6
[M]- 262.03619 152.6
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