CID 3625318

2,2,3,3,4,4,4-heptafluoro-n-[3-(trifluoromethyl)phenyl]butanamide

Structural Information

Molecular Formula
C11H5F10NO
SMILES
C1=CC(=CC(=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H5F10NO/c12-8(13,10(17,18)11(19,20)21)7(23)22-6-3-1-2-5(4-6)9(14,15)16/h1-4H,(H,22,23)
InChIKey
ITZZBAJDLSEKTE-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[3-(trifluoromethyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.02115 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02843 167.1
[M+Na]+ 380.01037 176.1
[M-H]- 356.01387 158.7
[M+NH4]+ 375.05497 179.0
[M+K]+ 395.98431 171.8
[M+H-H2O]+ 340.01841 153.8
[M+HCOO]- 402.01935 174.2
[M+CH3COO]- 416.03500 213.7
[M+Na-2H]- 377.99582 169.9
[M]+ 357.02060 151.7
[M]- 357.02170 151.7
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.