CID 704906

2-n-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C10H8F3N5
SMILES
C1=CC(=CC(=C1)NC2=NC=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C10H8F3N5/c11-10(12,13)6-2-1-3-7(4-6)17-9-16-5-15-8(14)18-9/h1-5H,(H3,14,15,16,17,18)
InChIKey
LVURQKNAXNXJLD-UHFFFAOYSA-N
Compound name
2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

255.07318 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08046 153.0
[M+Na]+ 278.06240 162.3
[M-H]- 254.06590 152.0
[M+NH4]+ 273.10700 165.0
[M+K]+ 294.03634 156.9
[M+H-H2O]+ 238.07044 141.1
[M+HCOO]- 300.07138 171.3
[M+CH3COO]- 314.08703 197.6
[M+Na-2H]- 276.04785 160.8
[M]+ 255.07263 146.7
[M]- 255.07373 146.7
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

patents stripe