CID 11390103

2,4-diamino-6-(4-fluorophenyl)-1,3,5-triazine

Structural Information

Molecular Formula
C9H8FN5
SMILES
C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)F
InChI
InChI=1S/C9H8FN5/c10-6-3-1-5(2-4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKey
UPQUQQDAZPFXCH-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

205.07637 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08365 143.3
[M+Na]+ 228.06559 153.6
[M-H]- 204.06909 144.8
[M+NH4]+ 223.11019 157.5
[M+K]+ 244.03953 148.5
[M+H-H2O]+ 188.07363 133.4
[M+HCOO]- 250.07457 165.1
[M+CH3COO]- 264.09022 155.3
[M+Na-2H]- 226.05104 150.3
[M]+ 205.07582 139.0
[M]- 205.07692 139.0
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