CID 128768

Tegalide

Structural Information

Molecular Formula
C20H11Br2Cl2NO3
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C(=CC(=C3)Br)Br)O)Cl)Cl
InChI
InChI=1S/C20H11Br2Cl2NO3/c21-11-7-15(19(27)16(22)8-11)20(28)25-13-5-6-17(24)14(9-13)18(26)10-1-3-12(23)4-2-10/h1-9,27H,(H,25,28)
InChIKey
GIBYUDMEGOAJMB-UHFFFAOYSA-N
Compound name
3,5-dibromo-N-[4-chloro-3-(4-chlorobenzoyl)phenyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

540.84827 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.85555 190.7
[M+Na]+ 563.83749 201.3
[M-H]- 539.84099 200.5
[M+NH4]+ 558.88209 202.2
[M+K]+ 579.81143 183.4
[M+H-H2O]+ 523.84553 197.3
[M+HCOO]- 585.84647 197.2
[M+CH3COO]- 599.86212 235.5
[M+Na-2H]- 561.82294 191.6
[M]+ 540.84772 226.6
[M]- 540.84882 226.6
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