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 160.8
[M+Na]+ 324.04182 171.6
[M-H]- 300.04532 162.0
[M+NH4]+ 319.08642 176.1
[M+K]+ 340.01576 165.8
[M+H-H2O]+ 284.04986 149.2
[M+HCOO]- 346.05080 180.1
[M+CH3COO]- 360.06645 207.9
[M+Na-2H]- 322.02727 161.2
[M]+ 301.05205 155.5
[M]- 301.05315 155.5
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.