CID 146097116

2411221-66-2

Structural Information

Molecular Formula
C11H6ClFN4O
SMILES
C1=CC(=CC=C1C2=NC3=NC=C(C(=O)N3N2)Cl)F
InChI
InChI=1S/C11H6ClFN4O/c12-8-5-14-11-15-9(16-17(11)10(8)18)6-1-3-7(13)4-2-6/h1-5H,(H,14,15,16)
InChIKey
ICSHSXBCOUJRKP-UHFFFAOYSA-N
Compound name
6-chloro-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.02142 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02870 152.7
[M+Na]+ 287.01064 167.2
[M-H]- 263.01414 153.8
[M+NH4]+ 282.05524 167.3
[M+K]+ 302.98458 159.4
[M+H-H2O]+ 247.01868 142.9
[M+HCOO]- 309.01962 167.6
[M+CH3COO]- 323.03527 165.0
[M+Na-2H]- 284.99609 158.7
[M]+ 264.02087 155.1
[M]- 264.02197 155.1
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.