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

13
Patents

255.02177 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02905 153.9
[M+Na]+ 278.01099 164.9
[M-H]- 254.01449 159.7
[M+NH4]+ 273.05559 171.7
[M+K]+ 293.98493 160.2
[M+H-H2O]+ 238.01903 147.9
[M+HCOO]- 300.01997 166.6
[M+CH3COO]- 314.03562 167.0
[M+Na-2H]- 275.99644 156.4
[M]+ 255.02122 159.1
[M]- 255.02232 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