CID 134869513

Dtxsid80412546

Structural Information

Molecular Formula
C8H4F14N4O
SMILES
C(=N\N)(\C(C(C(F)(F)F)(F)F)(F)F)/NNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F14N4O/c9-3(10,5(13,14)7(17,18)19)1(24-23)25-26-2(27)4(11,12)6(15,16)8(20,21)22/h23H2,(H,24,25)(H,26,27)
InChIKey
WPSYBEPRLNTTPN-UHFFFAOYSA-N
Compound name
N'-amino-2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.01614 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.02342 172.5
[M+Na]+ 461.00536 172.2
[M+NH4]+ 456.04996 171.7
[M+K]+ 476.97930 171.7
[M-H]- 437.00886 169.1
[M+Na-2H]- 458.99081 171.4
[M]+ 438.01559 171.3
[M]- 438.01669 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.