CID 17999107

4-chloro-n,n-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C7H7ClF3N3
SMILES
CN(C)C1=NC(=CC(=N1)Cl)C(F)(F)F
InChI
InChI=1S/C7H7ClF3N3/c1-14(2)6-12-4(7(9,10)11)3-5(8)13-6/h3H,1-2H3
InChIKey
HAIVSXVKEFAZPJ-UHFFFAOYSA-N
Compound name
4-chloro-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

225.02806 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03534 140.4
[M+Na]+ 248.01728 151.2
[M-H]- 224.02078 139.4
[M+NH4]+ 243.06188 157.6
[M+K]+ 263.99122 148.0
[M+H-H2O]+ 208.02532 131.3
[M+HCOO]- 270.02626 155.1
[M+CH3COO]- 284.04191 193.0
[M+Na-2H]- 246.00273 146.4
[M]+ 225.02751 139.7
[M]- 225.02861 139.7
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