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]+ 190.96148 126.0
[M+Na]+ 212.94342 139.3
[M-H]- 188.94692 128.9
[M+NH4]+ 207.98802 146.9
[M+K]+ 228.91736 128.7
[M+H-H2O]+ 172.95146 125.0
[M+HCOO]- 234.95240 146.0
[M+CH3COO]- 248.96805 179.4
[M+Na-2H]- 210.92887 136.3
[M]+ 189.95365 143.5
[M]- 189.95475 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.