CID 68387003

1401093-84-2

Structural Information

Molecular Formula
C11H9Cl2NO3
SMILES
CC1(CC(=NO1)C2=CC(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H9Cl2NO3/c1-11(10(15)16)5-9(14-17-11)6-2-7(12)4-8(13)3-6/h2-4H,5H2,1H3,(H,15,16)
InChIKey
FUMDEZTXUVSZKQ-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

272.99594 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.00322 153.0
[M+Na]+ 295.98516 167.0
[M+NH4]+ 291.02976 162.1
[M+K]+ 311.95910 161.1
[M-H]- 271.98866 156.0
[M+Na-2H]- 293.97061 160.3
[M]+ 272.99539 156.5
[M]- 272.99649 156.5
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

patents stripe