CID 3007300

Schembl5155141

Structural Information

Molecular Formula
C18H12Cl4N2O2
SMILES
CC1=C(C=C(C=C1)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl)NC(=O)C(Cl)Cl
InChI
InChI=1S/C18H12Cl4N2O2/c1-9-5-6-10(7-13(9)23-18(25)17(21)22)15-8-14(24-26-15)16-11(19)3-2-4-12(16)20/h2-8,17H,1H3,(H,23,25)
InChIKey
KDMNKXBZRUEAKA-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[5-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

427.9653 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.97258 195.3
[M+Na]+ 450.95452 204.8
[M-H]- 426.95802 201.1
[M+NH4]+ 445.99912 205.4
[M+K]+ 466.92846 198.7
[M+H-H2O]+ 410.96256 188.1
[M+HCOO]- 472.96350 196.6
[M+CH3COO]- 486.97915 203.6
[M+Na-2H]- 448.93997 192.1
[M]+ 427.96475 200.4
[M]- 427.96585 200.4
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