CID 309512

2263-96-9

Structural Information

Molecular Formula
C11H8ClF3N4
SMILES
C1=CC(=CC=C1C2=C(N=C(N=C2N)N)C(F)(F)F)Cl
InChI
InChI=1S/C11H8ClF3N4/c12-6-3-1-5(2-4-6)7-8(11(13,14)15)18-10(17)19-9(7)16/h1-4H,(H4,16,17,18,19)
InChIKey
BOMKEFCBQZPVAF-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

288.03897 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04625 160.2
[M+Na]+ 311.02819 171.6
[M-H]- 287.03169 160.3
[M+NH4]+ 306.07279 173.5
[M+K]+ 327.00213 164.4
[M+H-H2O]+ 271.03623 149.9
[M+HCOO]- 333.03717 174.2
[M+CH3COO]- 347.05282 203.3
[M+Na-2H]- 309.01364 164.1
[M]+ 288.03842 155.7
[M]- 288.03952 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.