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 138.6
[M+Na]+ 232.99760 151.2
[M-H]- 209.00110 144.0
[M+NH4]+ 228.04220 160.0
[M+K]+ 248.97154 147.8
[M+H-H2O]+ 193.00564 135.1
[M+HCOO]- 255.00658 157.8
[M+CH3COO]- 269.02223 182.3
[M+Na-2H]- 230.98305 144.7
[M]+ 210.00783 144.9
[M]- 210.00893 144.9
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.