CID 62677520

1-(2,4-difluorophenyl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C8H6F2N4
SMILES
C1=CC(=C(C=C1F)F)N2C(=NC=N2)N
InChI
InChI=1S/C8H6F2N4/c9-5-1-2-7(6(10)3-5)14-8(11)12-4-13-14/h1-4H,(H2,11,12,13)
InChIKey
ULMWXSGETPOJKA-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05605 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06333 136.3
[M+Na]+ 219.04527 147.6
[M-H]- 195.04877 137.1
[M+NH4]+ 214.08987 153.3
[M+K]+ 235.01921 143.4
[M+H-H2O]+ 179.05331 126.1
[M+HCOO]- 241.05425 157.8
[M+CH3COO]- 255.06990 149.3
[M+Na-2H]- 217.03072 141.1
[M]+ 196.05550 133.0
[M]- 196.05660 133.0
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

No patent data available for this compound.