CID 58433755

Methyl 2-chlorobenzo[d]oxazole-6-carboxylate

Structural Information

Molecular Formula
C9H6ClNO3
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(O2)Cl
InChI
InChI=1S/C9H6ClNO3/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3
InChIKey
ZZMHBFGSQVJSER-UHFFFAOYSA-N
Compound name
methyl 2-chloro-1,3-benzoxazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

211.00362 Da
Monoisotopic Mass

2.6
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.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe