CID 24225797

5-(2,4-dichlorophenoxymethyl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H7Cl2NO4
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC2=CC(=NO2)C(=O)O
InChI
InChI=1S/C11H7Cl2NO4/c12-6-1-2-10(8(13)3-6)17-5-7-4-9(11(15)16)14-18-7/h1-4H,5H2,(H,15,16)
InChIKey
DLQMVHXGHAIKJB-UHFFFAOYSA-N
Compound name
5-[(2,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.97522 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98250 155.7
[M+Na]+ 309.96444 166.6
[M-H]- 285.96794 160.7
[M+NH4]+ 305.00904 171.3
[M+K]+ 325.93838 162.6
[M+H-H2O]+ 269.97248 150.1
[M+HCOO]- 331.97342 168.3
[M+CH3COO]- 345.98907 193.1
[M+Na-2H]- 307.94989 158.7
[M]+ 286.97467 162.4
[M]- 286.97577 162.4
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.