CID 186516

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.06506 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07234 162.5
[M+Na]+ 340.05428 171.3
[M-H]- 316.05778 157.7
[M+NH4]+ 335.09888 176.7
[M+K]+ 356.02822 167.5
[M+H-H2O]+ 300.06232 151.4
[M+HCOO]- 362.06326 174.0
[M+CH3COO]- 376.07891 209.2
[M+Na-2H]- 338.03973 165.0
[M]+ 317.06451 152.7
[M]- 317.06561 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.