CID 532099

2,2,3,3,4,4,4-heptafluoro-n-(4-fluorophenyl)butanamide

Structural Information

Molecular Formula
C10H5F8NO
SMILES
C1=CC(=CC=C1NC(=O)C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10H5F8NO/c11-5-1-3-6(4-2-5)19-7(20)8(12,13)9(14,15)10(16,17)18/h1-4H,(H,19,20)
InChIKey
ISPPNGLLDAPGTE-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(4-fluorophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.02435 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03163 178.8
[M+Na]+ 330.01357 180.8
[M+NH4]+ 325.05817 178.9
[M+K]+ 345.98751 177.9
[M-H]- 306.01707 171.4
[M+Na-2H]- 327.99902 177.6
[M]+ 307.02380 176.6
[M]- 307.02490 176.6
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

patents stripe