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

14
Patents

210.00838 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.015656 138.9
[M+Na]+ 232.997598 151.1
[M-H]- 209.001104 145.3
[M+NH4]+ 228.042203 160.8
[M+K]+ 248.971538 148.6
[M+H-H2O]+ 193.005640 134.8
[M+HCOO]- 255.006581 159.6
[M+CH3COO]- 269.022231 183.0
[M+Na-2H]- 230.983046 146.1
[M]+ 210.00783142 146.6
[M]- 210.00892858 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