CID 2730442

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

255.07318 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.080456 154.5
[M+Na]+ 278.062398 164.9
[M-H]- 254.065904 153.5
[M+NH4]+ 273.107003 166.7
[M+K]+ 294.036338 159.1
[M+H-H2O]+ 238.070440 143.0
[M+HCOO]- 300.071381 172.2
[M+CH3COO]- 314.087031 198.2
[M+Na-2H]- 276.047846 160.4
[M]+ 255.07263142 147.7
[M]- 255.07372858 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