CID 24212850

853333-56-9

Structural Information

Molecular Formula
C17H10BrCl2NO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=C(C=C(C=C3)Br)Cl)Cl
InChI
InChI=1S/C17H10BrCl2NO2/c18-10-5-6-14(13(20)9-10)21-17(22)16-8-7-15(23-16)11-3-1-2-4-12(11)19/h1-9H,(H,21,22)
InChIKey
LXZKUQQSULXZEW-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-chlorophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.9272 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.93448 186.0
[M+Na]+ 431.91642 199.4
[M-H]- 407.91992 198.5
[M+NH4]+ 426.96102 202.3
[M+K]+ 447.89036 185.6
[M+H-H2O]+ 391.92446 185.5
[M+HCOO]- 453.92540 199.1
[M+CH3COO]- 467.94105 199.3
[M+Na-2H]- 429.90187 188.6
[M]+ 408.92665 209.0
[M]- 408.92775 209.0
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.