CID 25247792

1018143-24-2

Structural Information

Molecular Formula
C12H7FN4O2
SMILES
C1=CC(=CC=C1C2=NC3=NC=NN3C(=C2)C(=O)O)F
InChI
InChI=1S/C12H7FN4O2/c13-8-3-1-7(2-4-8)9-5-10(11(18)19)17-12(16-9)14-6-15-17/h1-6H,(H,18,19)
InChIKey
GMLJATHLEWYGQT-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06258 153.7
[M+Na]+ 281.04452 165.7
[M-H]- 257.04802 154.9
[M+NH4]+ 276.08912 167.2
[M+K]+ 297.01846 160.3
[M+H-H2O]+ 241.05256 143.5
[M+HCOO]- 303.05350 172.3
[M+CH3COO]- 317.06915 165.6
[M+Na-2H]- 279.02997 159.6
[M]+ 258.05475 155.0
[M]- 258.05585 155.0
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.