CID 4167156

2',3',4',5'-tetrafluoroacetanilide

Structural Information

Molecular Formula
C8H5F4NO
SMILES
CC(=O)NC1=CC(=C(C(=C1F)F)F)F
InChI
InChI=1S/C8H5F4NO/c1-3(14)13-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3,(H,13,14)
InChIKey
QDHKQWLHTOKHQG-UHFFFAOYSA-N
Compound name
N-(2,3,4,5-tetrafluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.03073 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03801 134.9
[M+Na]+ 230.01995 145.9
[M-H]- 206.02345 134.6
[M+NH4]+ 225.06455 154.3
[M+K]+ 245.99389 142.9
[M+H-H2O]+ 190.02799 126.2
[M+HCOO]- 252.02893 155.9
[M+CH3COO]- 266.04458 190.3
[M+Na-2H]- 228.00540 137.5
[M]+ 207.03018 130.5
[M]- 207.03128 130.5
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

patents stripe