CID 415574

648-13-5

Structural Information

Molecular Formula
C8H3F14N3
SMILES
C(=NC(=N)C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C8H3F14N3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22/h(H3,23,24,25)
InChIKey
BDVIKRZPWOTDRP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N'-(2,2,3,3,4,4,4-heptafluorobutanimidoyl)butanimidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.01035 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.01763 171.9
[M+Na]+ 429.99957 179.6
[M-H]- 406.00307 157.8
[M+NH4]+ 425.04417 165.8
[M+K]+ 445.97351 176.7
[M+H-H2O]+ 390.00761 157.2
[M+HCOO]- 452.00855 172.7
[M+CH3COO]- 466.02420 229.1
[M+Na-2H]- 427.98502 173.3
[M]+ 407.00980 146.4
[M]- 407.01090 146.4
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.