CID 60987049

4-(chloromethyl)-2-(3,5-dichlorophenyl)-1,3-oxazole

Structural Information

Molecular Formula
C10H6Cl3NO
SMILES
C1=C(C=C(C=C1Cl)Cl)C2=NC(=CO2)CCl
InChI
InChI=1S/C10H6Cl3NO/c11-4-9-5-15-10(14-9)6-1-7(12)3-8(13)2-6/h1-3,5H,4H2
InChIKey
SKZIKVWUUDJVCF-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(3,5-dichlorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9515 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95878 151.5
[M+Na]+ 283.94072 168.1
[M+NH4]+ 278.98532 160.9
[M+K]+ 299.91466 161.0
[M-H]- 259.94422 156.0
[M+Na-2H]- 281.92617 159.6
[M]+ 260.95095 156.2
[M]- 260.95205 156.2
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.