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
2
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 156.5
[M+Na]+ 330.01357 165.4
[M-H]- 306.01707 150.4
[M+NH4]+ 325.05817 170.7
[M+K]+ 345.98751 161.5
[M+H-H2O]+ 290.02161 144.6
[M+HCOO]- 352.02255 167.7
[M+CH3COO]- 366.03820 205.0
[M+Na-2H]- 327.99902 160.1
[M]+ 307.02380 144.4
[M]- 307.02490 144.4
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