CID 5119267

2,5-dichloro-n-(3,5-dibromo-4-hydroxyphenyl)benzamide

Structural Information

Molecular Formula
C13H7Br2Cl2NO2
SMILES
C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=C(C(=C2)Br)O)Br)Cl
InChI
InChI=1S/C13H7Br2Cl2NO2/c14-9-4-7(5-10(15)12(9)19)18-13(20)8-3-6(16)1-2-11(8)17/h1-5,19H,(H,18,20)
InChIKey
IFLWCZRMFPKYBN-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

436.82205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.82933 166.3
[M+Na]+ 459.81127 178.6
[M-H]- 435.81477 174.2
[M+NH4]+ 454.85587 181.6
[M+K]+ 475.78521 159.9
[M+H-H2O]+ 419.81931 174.0
[M+HCOO]- 481.82025 174.2
[M+CH3COO]- 495.83590 220.5
[M+Na-2H]- 457.79672 169.8
[M]+ 436.82150 201.7
[M]- 436.82260 201.7
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