CID 347055

4'-bromo-2,4-dichlorobenzanilide

Structural Information

Molecular Formula
C13H8BrCl2NO
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C13H8BrCl2NO/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,(H,17,18)
InChIKey
JZCUTPZJZVOXTF-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

342.91663 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.92391 162.3
[M+Na]+ 365.90585 175.5
[M-H]- 341.90935 171.1
[M+NH4]+ 360.95045 180.8
[M+K]+ 381.87979 160.6
[M+H-H2O]+ 325.91389 162.7
[M+HCOO]- 387.91483 175.5
[M+CH3COO]- 401.93048 205.6
[M+Na-2H]- 363.89130 167.7
[M]+ 342.91608 183.2
[M]- 342.91718 183.2
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