CID 53469

Tecloftalam

Structural Information

Molecular Formula
C14H5Cl6NO3
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H5Cl6NO3/c15-4-2-1-3-5(8(4)16)21-13(22)6-7(14(23)24)10(18)12(20)11(19)9(6)17/h1-3H,(H,21,22)(H,23,24)
InChIKey
ROZUQUDEWZIBHV-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachloro-6-[(2,3-dichlorophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

21489
Patents

444.84006 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.84734 184.5
[M+Na]+ 467.82928 193.4
[M-H]- 443.83278 183.4
[M+NH4]+ 462.87388 193.5
[M+K]+ 483.80322 188.9
[M+H-H2O]+ 427.83732 182.4
[M+HCOO]- 489.83826 176.4
[M+CH3COO]- 503.85391 226.5
[M+Na-2H]- 465.81473 179.1
[M]+ 444.83951 184.7
[M]- 444.84061 184.7
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