CID 11242591

5-(heptafluoropropyl)-n-methyl-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C6H4F7N3O
SMILES
CNC1=NN=C(O1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4F7N3O/c1-14-3-16-15-2(17-3)4(7,8)5(9,10)6(11,12)13/h1H3,(H,14,16)
InChIKey
PZMFLPZXSPNZAW-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

267.02426 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03154 146.0
[M+Na]+ 290.01348 156.0
[M-H]- 266.01698 139.5
[M+NH4]+ 285.05808 159.8
[M+K]+ 305.98742 154.5
[M+H-H2O]+ 250.02152 134.3
[M+HCOO]- 312.02246 157.5
[M+CH3COO]- 326.03811 196.4
[M+Na-2H]- 287.99893 152.4
[M]+ 267.02371 137.4
[M]- 267.02481 137.4
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.