CID 11446828

4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C6H8ClFN4
SMILES
CC(C)(C1=NC(=NC(=N1)Cl)N)F
InChI
InChI=1S/C6H8ClFN4/c1-6(2,8)3-10-4(7)12-5(9)11-3/h1-2H3,(H2,9,10,11,12)
InChIKey
QLGAUXJYKAVRNE-UHFFFAOYSA-N
Compound name
4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

190.04214 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04942 137.8
[M+Na]+ 213.03136 148.7
[M-H]- 189.03486 136.2
[M+NH4]+ 208.07596 154.2
[M+K]+ 229.00530 144.7
[M+H-H2O]+ 173.03940 130.2
[M+HCOO]- 235.04034 152.3
[M+CH3COO]- 249.05599 183.8
[M+Na-2H]- 211.01681 145.0
[M]+ 190.04159 137.2
[M]- 190.04269 137.2
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

patents stripe