CID 2379364

N-[5-(heptafluoropropyl)[1,1'-biphenyl]-2-yl]benzamide

Structural Information

Molecular Formula
C22H14F7NO
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H14F7NO/c23-20(24,21(25,26)22(27,28)29)16-11-12-18(17(13-16)14-7-3-1-4-8-14)30-19(31)15-9-5-2-6-10-15/h1-13H,(H,30,31)
InChIKey
OXEFQYACCKRTBE-UHFFFAOYSA-N
Compound name
N-[4-(1,1,2,2,3,3,3-heptafluoropropyl)-2-phenylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

441.09637 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.10365 198.1
[M+Na]+ 464.08559 205.4
[M-H]- 440.08909 198.6
[M+NH4]+ 459.13019 206.2
[M+K]+ 480.05953 197.9
[M+H-H2O]+ 424.09363 183.1
[M+HCOO]- 486.09457 208.8
[M+CH3COO]- 500.11022 230.0
[M+Na-2H]- 462.07104 200.3
[M]+ 441.09582 187.7
[M]- 441.09692 187.7
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.