CID 137952011

2219380-09-1

Structural Information

Molecular Formula
C12H8Cl2FNO2
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)CCl
InChI
InChI=1S/C12H8Cl2FNO2/c1-6-10(9(17)5-13)12(16-18-6)11-7(14)3-2-4-8(11)15/h2-4H,5H2,1H3
InChIKey
HZOVEFIQFQIWIT-UHFFFAOYSA-N
Compound name
2-chloro-1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9916 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.99888 157.5
[M+Na]+ 309.98082 172.2
[M+NH4]+ 305.02542 165.0
[M+K]+ 325.95476 166.9
[M-H]- 285.98432 160.0
[M+Na-2H]- 307.96627 163.7
[M]+ 286.99105 160.9
[M]- 286.99215 160.9
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.