CID 61278542

5-(difluoromethyl)-3-ethyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C5H7F2N3
SMILES
CCC1=NC(=NN1)C(F)F
InChI
InChI=1S/C5H7F2N3/c1-2-3-8-5(4(6)7)10-9-3/h4H,2H2,1H3,(H,8,9,10)
InChIKey
KDZKTFWNROPHKX-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-5-ethyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0608 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.068076 125.9
[M+Na]+ 170.050018 135.3
[M-H]- 146.053524 121.8
[M+NH4]+ 165.094623 144.4
[M+K]+ 186.023958 133.1
[M+H-H2O]+ 130.058060 116.9
[M+HCOO]- 192.059001 143.9
[M+CH3COO]- 206.074651 172.4
[M+Na-2H]- 168.035466 130.1
[M]+ 147.06025142 122.2
[M]- 147.06134858 122.2
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.