CID 14998617

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

Structural Information

Molecular Formula
C10H7Cl2NO3
SMILES
C1C(ON=C1C2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H7Cl2NO3/c11-5-1-2-6(7(12)3-5)8-4-9(10(14)15)16-13-8/h1-3,9H,4H2,(H,14,15)
InChIKey
LSJWMFZQRLHGFI-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.9803 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98758 150.6
[M+Na]+ 281.96952 161.1
[M-H]- 257.97302 155.3
[M+NH4]+ 277.01412 167.3
[M+K]+ 297.94346 156.8
[M+H-H2O]+ 241.97756 145.3
[M+HCOO]- 303.97850 161.9
[M+CH3COO]- 317.99415 188.4
[M+Na-2H]- 279.95497 153.0
[M]+ 258.97975 154.1
[M]- 258.98085 154.1
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