CID 24212786

853330-91-3

Structural Information

Molecular Formula
C19H14BrCl2NO2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)CCC(=O)NC3=C(C=C(C=C3)Cl)Cl)Br
InChI
InChI=1S/C19H14BrCl2NO2/c20-13-3-1-12(2-4-13)18-9-6-15(25-18)7-10-19(24)23-17-8-5-14(21)11-16(17)22/h1-6,8-9,11H,7,10H2,(H,23,24)
InChIKey
RICWJUDMIUIABV-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(2,4-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.9585 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.96578 195.2
[M+Na]+ 459.94772 207.7
[M-H]- 435.95122 207.3
[M+NH4]+ 454.99232 210.4
[M+K]+ 475.92166 193.5
[M+H-H2O]+ 419.95576 194.2
[M+HCOO]- 481.95670 207.6
[M+CH3COO]- 495.97235 207.7
[M+Na-2H]- 457.93317 196.8
[M]+ 436.95795 218.8
[M]- 436.95905 218.8
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.