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]+ 264.058606 155.3
[M+Na]+ 286.040548 164.8
[M-H]- 262.044054 161.2
[M+NH4]+ 281.085153 172.8
[M+K]+ 302.014488 159.0
[M+H-H2O]+ 246.048590 148.0
[M+HCOO]- 308.049531 174.5
[M+CH3COO]- 322.065181 198.1
[M+Na-2H]- 284.025996 159.2
[M]+ 263.05078142 156.1
[M]- 263.05187858 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