CID 3420149

2,2,3,3,4,4,4-heptafluoro-n-(2,4,5-trichlorophenyl)butanamide

Structural Information

Molecular Formula
C10H3Cl3F7NO
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3Cl3F7NO/c11-3-1-5(13)6(2-4(3)12)21-7(22)8(14,15)9(16,17)10(18,19)20/h1-2H,(H,21,22)
InChIKey
YGYLNZMGQILRCE-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2,4,5-trichlorophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

390.91684 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.92412 164.6
[M+Na]+ 413.90606 176.0
[M-H]- 389.90956 159.2
[M+NH4]+ 408.95066 177.7
[M+K]+ 429.88000 168.5
[M+H-H2O]+ 373.91410 156.2
[M+HCOO]- 435.91504 163.1
[M+CH3COO]- 449.93069 216.7
[M+Na-2H]- 411.89151 166.1
[M]+ 390.91629 159.2
[M]- 390.91739 159.2
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.