CID 26188909

5-bromo-4,6-difluoropyrimidine

Structural Information

Molecular Formula
C4HBrF2N2
SMILES
C1=NC(=C(C(=N1)F)Br)F
InChI
InChI=1S/C4HBrF2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey
XIBSHDQUWTUSAI-UHFFFAOYSA-N
Compound name
5-bromo-4,6-difluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.92912 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.93640 124.7
[M+Na]+ 216.91834 139.3
[M-H]- 192.92184 126.8
[M+NH4]+ 211.96294 145.7
[M+K]+ 232.89228 128.5
[M+H-H2O]+ 176.92638 123.1
[M+HCOO]- 238.92732 144.0
[M+CH3COO]- 252.94297 180.1
[M+Na-2H]- 214.90379 134.2
[M]+ 193.92857 141.2
[M]- 193.92967 141.2
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