CID 10511468

173411-59-1

Structural Information

Molecular Formula
C6H6ClNO3
SMILES
COC(=O)C1=CN=C(O1)CCl
InChI
InChI=1S/C6H6ClNO3/c1-10-6(9)4-3-8-5(2-7)11-4/h3H,2H2,1H3
InChIKey
WTOKORCVOWVWBC-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.00362 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.01090 130.7
[M+Na]+ 197.99284 141.0
[M-H]- 173.99634 134.1
[M+NH4]+ 193.03744 151.1
[M+K]+ 213.96678 140.3
[M+H-H2O]+ 158.00088 125.7
[M+HCOO]- 220.00182 150.0
[M+CH3COO]- 234.01747 175.3
[M+Na-2H]- 195.97829 136.7
[M]+ 175.00307 136.4
[M]- 175.00417 136.4
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.