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 157.3
[M+Na]+ 309.98082 169.4
[M-H]- 285.98432 162.2
[M+NH4]+ 305.02542 173.9
[M+K]+ 325.95476 164.3
[M+H-H2O]+ 269.98886 150.6
[M+HCOO]- 331.98980 169.5
[M+CH3COO]- 346.00545 198.1
[M+Na-2H]- 307.96627 158.7
[M]+ 286.99105 162.7
[M]- 286.99215 162.7
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.