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]+ 208.04476 137.7
[M+Na]+ 230.02670 147.5
[M-H]- 206.03020 136.1
[M+NH4]+ 225.07130 154.8
[M+K]+ 246.00064 143.4
[M+H-H2O]+ 190.03474 129.3
[M+HCOO]- 252.03568 153.5
[M+CH3COO]- 266.05133 187.8
[M+Na-2H]- 228.01215 143.1
[M]+ 207.03693 136.9
[M]- 207.03803 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.