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]+ 158.03603 127.4
[M+Na]+ 180.01797 137.1
[M-H]- 156.02147 126.1
[M+NH4]+ 175.06257 144.6
[M+K]+ 195.99191 135.0
[M+H-H2O]+ 140.02601 119.8
[M+HCOO]- 202.02695 148.1
[M+CH3COO]- 216.04260 175.4
[M+Na-2H]- 178.00342 133.3
[M]+ 157.02820 124.4
[M]- 157.02930 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

No patent data available for this compound.