CID 125042601

Methyl 5-chloro-1,2-benzoxazole-3-carboxylate

Structural Information

Molecular Formula
C9H6ClNO3
SMILES
COC(=O)C1=NOC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C9H6ClNO3/c1-13-9(12)8-6-4-5(10)2-3-7(6)14-11-8/h2-4H,1H3
InChIKey
PMETVHIDUKZLBF-UHFFFAOYSA-N
Compound name
methyl 5-chloro-1,2-benzoxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.00362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01090 137.7
[M+Na]+ 233.99284 152.6
[M+NH4]+ 229.03744 146.2
[M+K]+ 249.96678 148.4
[M-H]- 209.99634 140.2
[M+Na-2H]- 231.97829 143.8
[M]+ 211.00307 140.8
[M]- 211.00417 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.