CID 155821422

5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C6H6BrF2N3
SMILES
CC(C1=NC(=NC=C1Br)N)(F)F
InChI
InChI=1S/C6H6BrF2N3/c1-6(8,9)4-3(7)2-11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKey
HMMWACLTXVRPEO-UHFFFAOYSA-N
Compound name
5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97131 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.97859 140.7
[M+Na]+ 259.96053 153.8
[M-H]- 235.96403 142.2
[M+NH4]+ 255.00513 159.4
[M+K]+ 275.93447 141.9
[M+H-H2O]+ 219.96857 138.3
[M+HCOO]- 281.96951 158.0
[M+CH3COO]- 295.98516 189.9
[M+Na-2H]- 257.94598 148.6
[M]+ 236.97076 155.4
[M]- 236.97186 155.4
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

No patent data available for this compound.