CID 65670208

4-chloro-7-methyl-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C10H7ClO3
SMILES
CC1=C2C(=C(C=C1)Cl)C(=CO2)C(=O)O
InChI
InChI=1S/C10H7ClO3/c1-5-2-3-7(11)8-6(10(12)13)4-14-9(5)8/h2-4H,1H3,(H,12,13)
InChIKey
SYCTZMSTACLHMN-UHFFFAOYSA-N
Compound name
4-chloro-7-methyl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00838 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 137.9
[M+Na]+ 232.99760 152.6
[M+NH4]+ 228.04220 146.7
[M+K]+ 248.97154 148.5
[M-H]- 209.00110 140.7
[M+Na-2H]- 230.98305 143.5
[M]+ 210.00783 141.1
[M]- 210.00893 141.1
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.