CID 43134548

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

Structural Information

Molecular Formula
C9H6F2N4
SMILES
C1=CC(=C(C=C1C2=CN=NC(=N2)N)F)F
InChI
InChI=1S/C9H6F2N4/c10-6-2-1-5(3-7(6)11)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15)
InChIKey
WKBBLBRBXBJLDY-UHFFFAOYSA-N
Compound name
5-(3,4-difluorophenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

208.05605 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.063326 141.7
[M+Na]+ 231.045268 152.8
[M-H]- 207.048774 142.3
[M+NH4]+ 226.089873 156.3
[M+K]+ 247.019208 147.7
[M+H-H2O]+ 191.053310 131.0
[M+HCOO]- 253.054251 162.0
[M+CH3COO]- 267.069901 153.9
[M+Na-2H]- 229.030716 148.6
[M]+ 208.05550142 138.0
[M]- 208.05659858 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