CID 79017104

5-chloro-3-(2,3-dichlorophenyl)-1,2-oxazole

Structural Information

Molecular Formula
C9H4Cl3NO
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=NOC(=C2)Cl
InChI
InChI=1S/C9H4Cl3NO/c10-6-3-1-2-5(9(6)12)7-4-8(11)14-13-7/h1-4H
InChIKey
YXJSZNHTTUPXQA-UHFFFAOYSA-N
Compound name
5-chloro-3-(2,3-dichlorophenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.93585 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94313 147.6
[M+Na]+ 269.92507 159.8
[M-H]- 245.92857 152.2
[M+NH4]+ 264.96967 165.5
[M+K]+ 285.89901 154.7
[M+H-H2O]+ 229.93311 142.2
[M+HCOO]- 291.93405 156.5
[M+CH3COO]- 305.94970 160.7
[M+Na-2H]- 267.91052 151.4
[M]+ 246.93530 152.1
[M]- 246.93640 152.1
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.