CID 3599015

N-[(pentafluorophenyl)methyl]benzamide

Structural Information

Molecular Formula
C14H8F5NO
SMILES
C1=CC=C(C=C1)C(=O)NCC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C14H8F5NO/c15-9-8(10(16)12(18)13(19)11(9)17)6-20-14(21)7-4-2-1-3-5-7/h1-5H,6H2,(H,20,21)
InChIKey
AXUWQUAKGQQFEX-UHFFFAOYSA-N
Compound name
N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05988 171.0
[M+Na]+ 324.04182 179.2
[M+NH4]+ 319.08642 174.5
[M+K]+ 340.01576 173.2
[M-H]- 300.04532 168.2
[M+Na-2H]- 322.02727 174.2
[M]+ 301.05205 171.0
[M]- 301.05315 171.0
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.