CID 59802592

4-bromo-5-fluoro-6-methylpyrimidine

Structural Information

Molecular Formula
C5H4BrFN2
SMILES
CC1=C(C(=NC=N1)Br)F
InChI
InChI=1S/C5H4BrFN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3
InChIKey
CQMYTXOOLVBVLW-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

189.9542 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.961476 125.6
[M+Na]+ 212.943418 139.8
[M-H]- 188.946924 128.9
[M+NH4]+ 207.988023 146.9
[M+K]+ 228.917358 129.2
[M+H-H2O]+ 172.951460 124.8
[M+HCOO]- 234.952401 145.6
[M+CH3COO]- 248.968051 180.4
[M+Na-2H]- 210.928866 135.3
[M]+ 189.95365142 143.5
[M]- 189.95474858 143.5
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

patents stripe