CID 135480624

Abofpp

Structural Information

Molecular Formula
C10H7BrFN3O
SMILES
C1=CC=C(C(=C1)C2=C(C(=O)NC(=N2)N)Br)F
InChI
InChI=1S/C10H7BrFN3O/c11-7-8(14-10(13)15-9(7)16)5-3-1-2-4-6(5)12/h1-4H,(H3,13,14,15,16)
InChIKey
UHKUZWMIMIJLAZ-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(2-fluorophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

282.97565 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98293 150.5
[M+Na]+ 305.96487 163.9
[M-H]- 281.96837 155.1
[M+NH4]+ 301.00947 166.7
[M+K]+ 321.93881 150.1
[M+H-H2O]+ 265.97291 147.8
[M+HCOO]- 327.97385 169.3
[M+CH3COO]- 341.98950 195.4
[M+Na-2H]- 303.95032 157.0
[M]+ 282.97510 165.7
[M]- 282.97620 165.7
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.