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]+ 149.06333 124.7
[M+Na]+ 171.04527 134.0
[M-H]- 147.04877 121.7
[M+NH4]+ 166.08987 143.2
[M+K]+ 187.01921 132.5
[M+H-H2O]+ 131.05331 115.2
[M+HCOO]- 193.05425 145.0
[M+CH3COO]- 207.06990 176.2
[M+Na-2H]- 169.03072 129.4
[M]+ 148.05550 120.8
[M]- 148.05660 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.