CID 2782201

2,4-diamino-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine

Structural Information

Molecular Formula
C10H8F3N5
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-5(4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18)
InChIKey
YMIFDDZCSSDQHL-UHFFFAOYSA-N
Compound name
6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

255.07318 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08046 154.5
[M+Na]+ 278.06240 164.9
[M-H]- 254.06590 153.5
[M+NH4]+ 273.10700 166.7
[M+K]+ 294.03634 159.1
[M+H-H2O]+ 238.07044 143.0
[M+HCOO]- 300.07138 172.2
[M+CH3COO]- 314.08703 198.2
[M+Na-2H]- 276.04785 160.4
[M]+ 255.07263 147.7
[M]- 255.07373 147.7
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