CID 118988911

2-(bromomethyl)-5-fluoropyrimidine

Structural Information

Molecular Formula
C5H4BrFN2
SMILES
C1=C(C=NC(=N1)CBr)F
InChI
InChI=1S/C5H4BrFN2/c6-1-5-8-2-4(7)3-9-5/h2-3H,1H2
InChIKey
NAUMXARDVGJYKK-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.9542 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.961476 126.0
[M+Na]+ 212.943418 139.3
[M-H]- 188.946924 128.9
[M+NH4]+ 207.988023 146.9
[M+K]+ 228.917358 128.7
[M+H-H2O]+ 172.951460 125.0
[M+HCOO]- 234.952401 146.0
[M+CH3COO]- 248.968051 179.4
[M+Na-2H]- 210.928866 136.3
[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

No patent data available for this compound.