CID 710613

N-(3-chloro-4-fluorophenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C14H11ClFNO
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C14H11ClFNO/c1-9-2-4-10(5-3-9)14(18)17-11-6-7-13(16)12(15)8-11/h2-8H,1H3,(H,17,18)
InChIKey
MFWFICSMCOGWRJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

263.05133 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05861 155.3
[M+Na]+ 286.04055 164.8
[M-H]- 262.04405 161.2
[M+NH4]+ 281.08515 172.8
[M+K]+ 302.01449 159.0
[M+H-H2O]+ 246.04859 148.0
[M+HCOO]- 308.04953 174.5
[M+CH3COO]- 322.06518 198.1
[M+Na-2H]- 284.02600 159.2
[M]+ 263.05078 156.1
[M]- 263.05188 156.1
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

patents stripe