CID 3619674

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

Structural Information

Molecular Formula
C14H8F13N3
SMILES
C1=CC=C(C=C1)C(=N)N=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C14H8F13N3/c15-9(16,8(29)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/h1-5H,(H3,28,29,30)
InChIKey
XSJGLPXVMJDYCC-UHFFFAOYSA-N
Compound name
N-(1-amino-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

465.05106 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.05834 188.9
[M+Na]+ 488.04028 195.6
[M-H]- 464.04378 178.0
[M+NH4]+ 483.08488 195.7
[M+K]+ 504.01422 191.0
[M+H-H2O]+ 448.04832 173.1
[M+HCOO]- 510.04926 190.9
[M+CH3COO]- 524.06491 239.1
[M+Na-2H]- 486.02573 190.8
[M]+ 465.05051 165.6
[M]- 465.05161 165.6
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.