CID 43134505

5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C9H6F2N4
SMILES
C1=CC(=C(C=C1F)C2=CN=NC(=N2)N)F
InChI
InChI=1S/C9H6F2N4/c10-5-1-2-7(11)6(3-5)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15)
InChIKey
RYVVGURBKPZANE-UHFFFAOYSA-N
Compound name
5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

208.05605 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06333 141.7
[M+Na]+ 231.04527 152.8
[M-H]- 207.04877 142.3
[M+NH4]+ 226.08987 156.3
[M+K]+ 247.01921 147.7
[M+H-H2O]+ 191.05331 131.0
[M+HCOO]- 253.05425 162.0
[M+CH3COO]- 267.06990 153.9
[M+Na-2H]- 229.03072 148.6
[M]+ 208.05550 138.0
[M]- 208.05660 138.0
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