CID 73272

6-chlorouracil

Structural Information

Molecular Formula
C4H3ClN2O2
SMILES
C1=C(NC(=O)NC1=O)Cl
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChIKey
PKUFNWPSFCOSLU-UHFFFAOYSA-N
Compound name
6-chloro-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

836
Patents

145.98831 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.99559 120.7
[M+Na]+ 168.97753 132.5
[M-H]- 144.98103 119.8
[M+NH4]+ 164.02213 139.3
[M+K]+ 184.95147 127.6
[M+H-H2O]+ 128.98557 115.6
[M+HCOO]- 190.98651 137.4
[M+CH3COO]- 205.00216 165.0
[M+Na-2H]- 166.96298 128.7
[M]+ 145.98776 120.0
[M]- 145.98886 120.0
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