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 152.3
[M+Na]+ 283.94072 164.0
[M-H]- 259.94422 156.7
[M+NH4]+ 278.98532 169.6
[M+K]+ 299.91466 158.7
[M+H-H2O]+ 243.94876 146.6
[M+HCOO]- 305.94970 160.8
[M+CH3COO]- 319.96535 164.9
[M+Na-2H]- 281.92617 155.6
[M]+ 260.95095 157.1
[M]- 260.95205 157.1
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

No patent data available for this compound.