CID 563360

29723-32-8

Structural Information

Molecular Formula
C12H10F7N
SMILES
C1=CC=C(C=C1)CCN=CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F7N/c13-10(14,11(15,16)12(17,18)19)8-20-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey
ZMEUDXSOKSBVSN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butan-1-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

301.07016 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07744 160.6
[M+Na]+ 324.05938 168.5
[M-H]- 300.06288 156.3
[M+NH4]+ 319.10398 175.7
[M+K]+ 340.03332 164.3
[M+H-H2O]+ 284.06742 148.7
[M+HCOO]- 346.06836 174.4
[M+CH3COO]- 360.08401 206.8
[M+Na-2H]- 322.04483 165.7
[M]+ 301.06961 151.4
[M]- 301.07071 151.4
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.