CID 43144257

2-(1-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole

Structural Information

Molecular Formula
C12H11Cl2NO
SMILES
CC1=C(OC(=N1)C(C)Cl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11Cl2NO/c1-7(13)12-15-8(2)11(16-12)9-3-5-10(14)6-4-9/h3-7H,1-2H3
InChIKey
OWWRAHONSSZZNO-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

255.02177 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.029046 153.9
[M+Na]+ 278.010988 164.9
[M-H]- 254.014494 159.7
[M+NH4]+ 273.055593 171.7
[M+K]+ 293.984928 160.2
[M+H-H2O]+ 238.019030 147.9
[M+HCOO]- 300.019971 166.6
[M+CH3COO]- 314.035621 167.0
[M+Na-2H]- 275.996436 156.4
[M]+ 255.02122142 159.1
[M]- 255.02231858 159.1
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

patents stripe