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

45
Patents

205.07637 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

patents stripe