CID 45051448

853356-01-1

Structural Information

Molecular Formula
C19H12BrCl2NO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)NC3=C(C=C(C=C3)Br)Cl)Cl
InChI
InChI=1S/C19H12BrCl2NO2/c20-12-5-8-17(16(22)11-12)23-19(24)10-7-13-6-9-18(25-13)14-3-1-2-4-15(14)21/h1-11H,(H,23,24)/b10-7+
InChIKey
VTWGIPONAKJZIY-JXMROGBWSA-N
Compound name
(E)-N-(4-bromo-2-chlorophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.94284 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.95012 194.6
[M+Na]+ 457.93206 207.5
[M-H]- 433.93556 206.8
[M+NH4]+ 452.97666 209.9
[M+K]+ 473.90600 192.8
[M+H-H2O]+ 417.94010 193.8
[M+HCOO]- 479.94104 207.2
[M+CH3COO]- 493.95669 207.2
[M+Na-2H]- 455.91751 196.1
[M]+ 434.94229 217.5
[M]- 434.94339 217.5
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.