CID 57569385

6-amino-5-fluoropyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H4FN3O2
SMILES
C1=NC(=C(C(=N1)N)F)C(=O)O
InChI
InChI=1S/C5H4FN3O2/c6-2-3(5(10)11)8-1-9-4(2)7/h1H,(H,10,11)(H2,7,8,9)
InChIKey
KGCRVOOYDZJROM-UHFFFAOYSA-N
Compound name
6-amino-5-fluoropyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.02875 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036026 127.4
[M+Na]+ 180.017968 137.1
[M-H]- 156.021474 126.1
[M+NH4]+ 175.062573 144.6
[M+K]+ 195.991908 135.0
[M+H-H2O]+ 140.026010 119.8
[M+HCOO]- 202.026951 148.1
[M+CH3COO]- 216.042601 175.4
[M+Na-2H]- 178.003416 133.3
[M]+ 157.02820142 124.4
[M]- 157.02929858 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe