CID 133057291

4,6-dibromo-5-fluoro-2-methylpyrimidine

Structural Information

Molecular Formula
C5H3Br2FN2
SMILES
CC1=NC(=C(C(=N1)Br)F)Br
InChI
InChI=1S/C5H3Br2FN2/c1-2-9-4(6)3(8)5(7)10-2/h1H3
InChIKey
ZNULNVJGCOLWDV-UHFFFAOYSA-N
Compound name
4,6-dibromo-5-fluoro-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.8647 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.87198 126.5
[M+Na]+ 290.85392 140.0
[M-H]- 266.85742 131.2
[M+NH4]+ 285.89852 145.4
[M+K]+ 306.82786 124.8
[M+H-H2O]+ 250.86196 134.2
[M+HCOO]- 312.86290 141.7
[M+CH3COO]- 326.87855 199.5
[M+Na-2H]- 288.83937 135.4
[M]+ 267.86415 160.3
[M]- 267.86525 160.3
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.