CID 6164571

N-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidoyl)oxy]benzenecarboximidamide

Structural Information

Molecular Formula
C14H8F13N3O
SMILES
C1=CC=C(C=C1)/C(=N\OC(=N)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/N
InChI
InChI=1S/C14H8F13N3O/c15-9(16,8(29)31-30-7(28)6-4-2-1-3-5-6)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-5,29H,(H2,28,30)
InChIKey
PZNFGRVUCIGGHF-UHFFFAOYSA-N
Compound name
[(E)-[amino(phenyl)methylidene]amino] 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

481.046 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.05328 191.6
[M+Na]+ 504.03522 198.2
[M-H]- 480.03872 180.8
[M+NH4]+ 499.07982 197.8
[M+K]+ 520.00916 194.2
[M+H-H2O]+ 464.04326 175.8
[M+HCOO]- 526.04420 193.8
[M+CH3COO]- 540.05985 241.0
[M+Na-2H]- 502.02067 194.0
[M]+ 481.04545 169.7
[M]- 481.04655 169.7
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.