CID 2779451

131468-33-2

Structural Information

Molecular Formula
C9H5Cl2FN4
SMILES
C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)F
InChI
InChI=1S/C9H5Cl2FN4/c10-7-14-8(11)16-9(15-7)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14,15,16)
InChIKey
GVFNRSSFMJILLU-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

257.98752 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99480 148.3
[M+Na]+ 280.97674 159.9
[M-H]- 256.98024 149.2
[M+NH4]+ 276.02134 162.2
[M+K]+ 296.95068 153.1
[M+H-H2O]+ 240.98478 138.9
[M+HCOO]- 302.98572 160.2
[M+CH3COO]- 317.00137 159.9
[M+Na-2H]- 278.96219 155.4
[M]+ 257.98697 149.5
[M]- 257.98807 149.5
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