CID 2517699

851814-17-0

Structural Information

Molecular Formula
C13H11Cl2NO2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)CNC(=O)CCl)Cl
InChI
InChI=1S/C13H11Cl2NO2/c14-7-13(17)16-8-11-5-6-12(18-11)9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)
InChIKey
NFUTVEFDOQYMMQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.0167 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02398 163.2
[M+Na]+ 306.00592 172.3
[M-H]- 282.00942 170.0
[M+NH4]+ 301.05052 180.5
[M+K]+ 321.97986 167.2
[M+H-H2O]+ 266.01396 157.6
[M+HCOO]- 328.01490 178.4
[M+CH3COO]- 342.03055 197.7
[M+Na-2H]- 303.99137 166.2
[M]+ 283.01615 168.0
[M]- 283.01725 168.0
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

patents stripe