CID 592133

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C14H14F7NO3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC
InChI
InChI=1S/C14H14F7NO3/c1-24-9-4-3-8(7-10(9)25-2)5-6-22-11(23)12(15,16)13(17,18)14(19,20)21/h3-4,7H,5-6H2,1-2H3,(H,22,23)
InChIKey
VLLJJJGOUHIKJE-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.08618 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09346 178.1
[M+Na]+ 400.07540 185.9
[M-H]- 376.07890 172.8
[M+NH4]+ 395.12000 189.7
[M+K]+ 416.04934 182.8
[M+H-H2O]+ 360.08344 166.2
[M+HCOO]- 422.08438 189.4
[M+CH3COO]- 436.10003 219.1
[M+Na-2H]- 398.06085 180.0
[M]+ 377.08563 172.0
[M]- 377.08673 172.0
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.