CID 86716009

5-bromo-2-(1,1-difluoroethyl)pyrimidine

Structural Information

Molecular Formula
C6H5BrF2N2
SMILES
CC(C1=NC=C(C=N1)Br)(F)F
InChI
InChI=1S/C6H5BrF2N2/c1-6(8,9)5-10-2-4(7)3-11-5/h2-3H,1H3
InChIKey
IDNBKRRQWMDWTL-UHFFFAOYSA-N
Compound name
5-bromo-2-(1,1-difluoroethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

221.96042 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.967696 136.1
[M+Na]+ 244.949638 149.4
[M-H]- 220.953144 137.9
[M+NH4]+ 239.994243 155.8
[M+K]+ 260.923578 138.4
[M+H-H2O]+ 204.957680 134.4
[M+HCOO]- 266.958621 153.2
[M+CH3COO]- 280.974271 185.1
[M+Na-2H]- 242.935086 145.5
[M]+ 221.95987142 152.3
[M]- 221.96096858 152.3
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

patents stripe