CID 62232805

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

Structural Information

Molecular Formula
C11H7Cl2NO3
SMILES
CC1=C(N=C(O1)C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H7Cl2NO3/c1-5-9(11(15)16)14-10(17-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,16)
InChIKey
ULCCLFXRXPQHJE-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9803 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.98758 153.3
[M+Na]+ 293.96952 165.3
[M-H]- 269.97302 158.7
[M+NH4]+ 289.01412 170.0
[M+K]+ 309.94346 160.7
[M+H-H2O]+ 253.97756 148.2
[M+HCOO]- 315.97850 165.7
[M+CH3COO]- 329.99415 192.2
[M+Na-2H]- 291.95497 155.5
[M]+ 270.97975 159.0
[M]- 270.98085 159.0
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.