CID 71300234

Methyl 6-chloro-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C10H7ClO3
SMILES
COC(=O)C1=CC2=C(O1)C=C(C=C2)Cl
InChI
InChI=1S/C10H7ClO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChIKey
BBKNMQLOVMQZRO-UHFFFAOYSA-N
Compound name
methyl 6-chloro-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

210.00838 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 138.9
[M+Na]+ 232.99760 151.1
[M-H]- 209.00110 145.3
[M+NH4]+ 228.04220 160.8
[M+K]+ 248.97154 148.6
[M+H-H2O]+ 193.00564 134.8
[M+HCOO]- 255.00658 159.6
[M+CH3COO]- 269.02223 183.0
[M+Na-2H]- 230.98305 146.1
[M]+ 210.00783 146.6
[M]- 210.00893 146.6
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