CID 135444024

74602-62-3

Structural Information

Molecular Formula
C10H7BrFN3O
SMILES
C1=CC(=CC=C1C2=C(C(=O)NC(=N2)N)Br)F
InChI
InChI=1S/C10H7BrFN3O/c11-7-8(14-10(13)15-9(7)16)5-1-3-6(12)4-2-5/h1-4H,(H3,13,14,15,16)
InChIKey
FFHKBAKFBGNHID-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
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

literature stripe

Patent stripe

patents stripe