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

83
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 164.8
[M+Na]+ 334.00082 181.4
[M+NH4]+ 329.04542 173.5
[M+K]+ 349.97476 177.3
[M-H]- 310.00432 176.4
[M+Na-2H]- 331.98627 174.3
[M]+ 311.01105 172.2
[M]- 311.01215 172.2
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