CID 126973244

2344677-43-4

Structural Information

Molecular Formula
C7H9F2N3
SMILES
CC(C1=NC=CC(=N1)C(F)F)N
InChI
InChI=1S/C7H9F2N3/c1-4(10)7-11-3-2-5(12-7)6(8)9/h2-4,6H,10H2,1H3
InChIKey
MPYIKCQSDUSUCM-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07645 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.083726 133.8
[M+Na]+ 196.065668 141.8
[M-H]- 172.069174 131.9
[M+NH4]+ 191.110273 150.9
[M+K]+ 212.039608 139.7
[M+H-H2O]+ 156.073710 124.8
[M+HCOO]- 218.074651 152.7
[M+CH3COO]- 232.090301 183.1
[M+Na-2H]- 194.051116 138.2
[M]+ 173.07590142 129.1
[M]- 173.07699858 129.1
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.