CID 564143

Ac1lbtuh

Structural Information

Molecular Formula
C16H10F15N
SMILES
C1=CC=C(C=C1)CCN=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H10F15N/c17-10(18,8-32-7-6-9-4-2-1-3-5-9)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-5,8H,6-7H2
InChIKey
JFCGFYIIFNVYCN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

501.05737 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.06465 204.2
[M+Na]+ 524.04659 212.3
[M-H]- 500.05009 192.0
[M+NH4]+ 519.09119 210.4
[M+K]+ 540.02053 206.7
[M+H-H2O]+ 484.05463 187.0
[M+HCOO]- 546.05557 202.3
[M+CH3COO]- 560.07122 241.9
[M+Na-2H]- 522.03204 206.5
[M]+ 501.05682 182.2
[M]- 501.05792 182.2
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.