CID 79098170

6-chloro-n-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C7H8ClF2N3
SMILES
CC1=NC(=CC(=N1)Cl)NCC(F)F
InChI
InChI=1S/C7H8ClF2N3/c1-4-12-5(8)2-7(13-4)11-3-6(9)10/h2,6H,3H2,1H3,(H,11,12,13)
InChIKey
GJSWVZJNSNWUGE-UHFFFAOYSA-N
Compound name
6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.03748 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.044756 137.7
[M+Na]+ 230.026698 147.5
[M-H]- 206.030204 136.1
[M+NH4]+ 225.071303 154.8
[M+K]+ 246.000638 143.4
[M+H-H2O]+ 190.034740 129.3
[M+HCOO]- 252.035681 153.5
[M+CH3COO]- 266.051331 187.8
[M+Na-2H]- 228.012146 143.1
[M]+ 207.03693142 136.9
[M]- 207.03802858 136.9
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.