CID 19622867

1-(2,2-difluoroethyl)-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C4H6F2N4
SMILES
C1=NC(=NN1CC(F)F)N
InChI
InChI=1S/C4H6F2N4/c5-3(6)1-10-2-8-4(7)9-10/h2-3H,1H2,(H2,7,9)
InChIKey
JNIVULMEIXEDDD-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.05605 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.063326 124.7
[M+Na]+ 171.045268 134.0
[M-H]- 147.048774 121.7
[M+NH4]+ 166.089873 143.2
[M+K]+ 187.019208 132.5
[M+H-H2O]+ 131.053310 115.2
[M+HCOO]- 193.054251 145.0
[M+CH3COO]- 207.069901 176.2
[M+Na-2H]- 169.030716 129.4
[M]+ 148.05550142 120.8
[M]- 148.05659858 120.8
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.