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]+ 148.06808 125.9
[M+Na]+ 170.05002 135.3
[M-H]- 146.05352 121.8
[M+NH4]+ 165.09462 144.4
[M+K]+ 186.02396 133.1
[M+H-H2O]+ 130.05806 116.9
[M+HCOO]- 192.05900 143.9
[M+CH3COO]- 206.07465 172.4
[M+Na-2H]- 168.03547 130.1
[M]+ 147.06025 122.2
[M]- 147.06135 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.