CID 44139270

N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)acetamide

Structural Information

Molecular Formula
C14H10Cl2FNO
SMILES
CC(=O)NC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2FNO/c1-8(19)18-14-5-3-10(17)7-11(14)9-2-4-12(15)13(16)6-9/h2-7H,1H3,(H,18,19)
InChIKey
AXJVTIXMCNXNFH-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

297.01236 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.01964 160.8
[M+Na]+ 320.00158 176.3
[M+NH4]+ 315.04618 169.4
[M+K]+ 335.97552 167.6
[M-H]- 296.00508 164.6
[M+Na-2H]- 317.98703 169.5
[M]+ 297.01181 164.7
[M]- 297.01291 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe