CID 84676529

2-bromo-4-(difluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H3BrF2N2
SMILES
C1=CN=C(N=C1C(F)F)Br
InChI
InChI=1S/C5H3BrF2N2/c6-5-9-2-1-3(10-5)4(7)8/h1-2,4H
InChIKey
VQOIHHODGALTBV-UHFFFAOYSA-N
Compound name
2-bromo-4-(difluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

207.94476 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.95204 130.2
[M+Na]+ 230.93398 143.2
[M-H]- 206.93748 131.9
[M+NH4]+ 225.97858 150.2
[M+K]+ 246.90792 132.5
[M+H-H2O]+ 190.94202 128.2
[M+HCOO]- 252.94296 148.2
[M+CH3COO]- 266.95861 182.7
[M+Na-2H]- 228.91943 138.6
[M]+ 207.94421 146.0
[M]- 207.94531 146.0
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