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]+ 174.08373 133.8
[M+Na]+ 196.06567 141.8
[M-H]- 172.06917 131.9
[M+NH4]+ 191.11027 150.9
[M+K]+ 212.03961 139.7
[M+H-H2O]+ 156.07371 124.8
[M+HCOO]- 218.07465 152.7
[M+CH3COO]- 232.09030 183.1
[M+Na-2H]- 194.05112 138.2
[M]+ 173.07590 129.1
[M]- 173.07700 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.