CID 1915836

2,2,3,3,4,4,4-heptafluoro-n-(1h-1,2,4-triazol-5-yl)butanamide

Structural Information

Molecular Formula
C6H3F7N4O
SMILES
C1=NNC(=N1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F7N4O/c7-4(8,5(9,10)6(11,12)13)2(18)16-3-14-1-15-17-3/h1H,(H2,14,15,16,17,18)
InChIKey
MKTHGMLBIHQPEW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(1H-1,2,4-triazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.0195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02678 148.4
[M+Na]+ 303.00872 157.0
[M-H]- 279.01222 138.6
[M+NH4]+ 298.05332 160.5
[M+K]+ 318.98266 153.7
[M+H-H2O]+ 263.01676 136.0
[M+HCOO]- 325.01770 157.3
[M+CH3COO]- 339.03335 194.6
[M+Na-2H]- 300.99417 153.3
[M]+ 280.01895 136.3
[M]- 280.02005 136.3
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.