CID 53421832

946426-88-6

Structural Information

Molecular Formula
C14H11Cl2NO3
SMILES
COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C3CC3
InChI
InChI=1S/C14H11Cl2NO3/c1-19-14(18)11-12(17-20-13(11)7-5-6-7)10-8(15)3-2-4-9(10)16/h2-4,7H,5-6H2,1H3
InChIKey
IPBRHVDRTRBACF-UHFFFAOYSA-N
Compound name
methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

311.0116 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01888 162.5
[M+Na]+ 334.00082 174.7
[M-H]- 310.00432 171.9
[M+NH4]+ 329.04542 173.3
[M+K]+ 349.97476 169.7
[M+H-H2O]+ 294.00886 155.9
[M+HCOO]- 356.00980 175.7
[M+CH3COO]- 370.02545 203.7
[M+Na-2H]- 331.98627 163.9
[M]+ 311.01105 171.6
[M]- 311.01215 171.6
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