CID 71360990

34648-00-5

Structural Information

Molecular Formula
C12H8F7NO
SMILES
C1=CC=C(C=C1)NC=CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)6-7-20-8-4-2-1-3-5-8/h1-7,20H
InChIKey
XFHCDUPPKDNJDY-UHFFFAOYSA-N
Compound name
1-anilino-4,4,5,5,6,6,6-heptafluorohex-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

315.0494 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05668 161.7
[M+Na]+ 338.03862 169.1
[M-H]- 314.04212 156.1
[M+NH4]+ 333.08322 175.3
[M+K]+ 354.01256 164.5
[M+H-H2O]+ 298.04666 150.1
[M+HCOO]- 360.04760 173.5
[M+CH3COO]- 374.06325 205.9
[M+Na-2H]- 336.02407 165.5
[M]+ 315.04885 150.6
[M]- 315.04995 150.6
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.