CID 590760

N-(2,6-dimethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C12H10F7NO
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F7NO/c1-6-4-3-5-7(2)8(6)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3,(H,20,21)
InChIKey
WKKFRUKEJSYAAA-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.06506 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07234 181.8
[M+Na]+ 340.05428 184.6
[M+NH4]+ 335.09888 182.4
[M+K]+ 356.02822 181.4
[M-H]- 316.05778 174.4
[M+Na-2H]- 338.03973 180.7
[M]+ 317.06451 179.7
[M]- 317.06561 179.7
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.