CID 61351269

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

Structural Information

Molecular Formula
C6H9F2N3
SMILES
CC(C)C1=NNC(=N1)C(F)F
InChI
InChI=1S/C6H9F2N3/c1-3(2)5-9-6(4(7)8)11-10-5/h3-4H,1-2H3,(H,9,10,11)
InChIKey
IOIXQNULIKCUTE-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-propan-2-yl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.07645 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.08373 133.6
[M+Na]+ 184.06567 142.3
[M+NH4]+ 179.11027 139.0
[M+K]+ 200.03961 140.2
[M-H]- 160.06917 129.6
[M+Na-2H]- 182.05112 136.6
[M]+ 161.07590 133.2
[M]- 161.07700 133.2
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.