CID 4494075

N-(3-bromophenyl)-5-(2-chlorophenyl)-2-furamide

Structural Information

Molecular Formula
C17H11BrClNO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)Br)Cl
InChI
InChI=1S/C17H11BrClNO2/c18-11-4-3-5-12(10-11)20-17(21)16-9-8-15(22-16)13-6-1-2-7-14(13)19/h1-10H,(H,20,21)
InChIKey
PKXGVTYIRGRCGX-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.96616 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.97344 180.6
[M+Na]+ 397.95538 192.5
[M-H]- 373.95888 193.5
[M+NH4]+ 392.99998 197.4
[M+K]+ 413.92932 179.9
[M+H-H2O]+ 357.96342 179.5
[M+HCOO]- 419.96436 198.6
[M+CH3COO]- 433.98001 194.3
[M+Na-2H]- 395.94083 184.5
[M]+ 374.96561 202.1
[M]- 374.96671 202.1
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.