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

61
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 152.6
[M+Na]+ 295.98516 163.6
[M-H]- 271.98866 157.6
[M+NH4]+ 291.02976 170.8
[M+K]+ 311.95910 159.3
[M+H-H2O]+ 255.99320 148.0
[M+HCOO]- 317.99414 163.7
[M+CH3COO]- 332.00979 190.9
[M+Na-2H]- 293.97061 155.9
[M]+ 272.99539 156.8
[M]- 272.99649 156.8
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