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]+ 190.96148 125.6
[M+Na]+ 212.94342 139.8
[M-H]- 188.94692 128.9
[M+NH4]+ 207.98802 146.9
[M+K]+ 228.91736 129.2
[M+H-H2O]+ 172.95146 124.8
[M+HCOO]- 234.95240 145.6
[M+CH3COO]- 248.96805 180.4
[M+Na-2H]- 210.92887 135.3
[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

patents stripe