CID 68291209

5-bromo-2-(difluoromethoxy)pyrimidine

Structural Information

Molecular Formula
C5H3BrF2N2O
SMILES
C1=C(C=NC(=N1)OC(F)F)Br
InChI
InChI=1S/C5H3BrF2N2O/c6-3-1-9-5(10-2-3)11-4(7)8/h1-2,4H
InChIKey
UJJGOUHKQXTPRE-UHFFFAOYSA-N
Compound name
5-bromo-2-(difluoromethoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

223.93968 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.94696 132.8
[M+Na]+ 246.92890 145.7
[M-H]- 222.93240 134.5
[M+NH4]+ 241.97350 152.2
[M+K]+ 262.90284 135.5
[M+H-H2O]+ 206.93694 130.6
[M+HCOO]- 268.93788 151.0
[M+CH3COO]- 282.95353 184.5
[M+Na-2H]- 244.91435 141.2
[M]+ 223.93913 150.0
[M]- 223.94023 150.0
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