CID 24709790

5-bromo-n-(3-chloro-2-methylphenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C14H10BrClFNO
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C14H10BrClFNO/c1-8-11(16)3-2-4-13(8)18-14(19)10-7-9(15)5-6-12(10)17/h2-7H,1H3,(H,18,19)
InChIKey
MDFMOXGPPAPFTJ-UHFFFAOYSA-N
Compound name
5-bromo-N-(3-chloro-2-methylphenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.96182 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.96910 165.8
[M+Na]+ 363.95104 178.9
[M-H]- 339.95454 174.1
[M+NH4]+ 358.99564 184.1
[M+K]+ 379.92498 164.5
[M+H-H2O]+ 323.95908 164.4
[M+HCOO]- 385.96002 182.5
[M+CH3COO]- 399.97567 208.0
[M+Na-2H]- 361.93649 169.9
[M]+ 340.96127 185.3
[M]- 340.96237 185.3
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.