CID 11185092

5-(heptafluoropropyl)-n,1-dimethyl-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C7H7F7N4
SMILES
CNC1=NN(C(=N1)C(C(C(F)(F)F)(F)F)(F)F)C
InChI
InChI=1S/C7H7F7N4/c1-15-4-16-3(18(2)17-4)5(8,9)6(10,11)7(12,13)14/h1-2H3,(H,15,17)
InChIKey
COXLELXARHOAAF-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.0559 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06318 152.6
[M+Na]+ 303.04512 163.1
[M-H]- 279.04862 144.6
[M+NH4]+ 298.08972 166.2
[M+K]+ 319.01906 159.9
[M+H-H2O]+ 263.05316 140.3
[M+HCOO]- 325.05410 163.2
[M+CH3COO]- 339.06975 201.2
[M+Na-2H]- 301.03057 156.9
[M]+ 280.05535 143.4
[M]- 280.05645 143.4
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.