CID 2782763

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

Structural Information

Molecular Formula
C9H8FN5
SMILES
C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)F
InChI
InChI=1S/C9H8FN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKey
PWZNTESZSJQVGW-UHFFFAOYSA-N
Compound name
6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

205.07637 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.083646 143.3
[M+Na]+ 228.065588 153.6
[M-H]- 204.069094 144.8
[M+NH4]+ 223.110193 157.5
[M+K]+ 244.039528 148.5
[M+H-H2O]+ 188.073630 133.4
[M+HCOO]- 250.074571 165.1
[M+CH3COO]- 264.090221 155.3
[M+Na-2H]- 226.051036 150.3
[M]+ 205.07582142 139.0
[M]- 205.07691858 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

No literature data available for this compound.

Patent stripe

patents stripe