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]+ 211.015656 138.6
[M+Na]+ 232.997598 151.2
[M-H]- 209.001104 144.0
[M+NH4]+ 228.042203 160.0
[M+K]+ 248.971538 147.8
[M+H-H2O]+ 193.005640 135.1
[M+HCOO]- 255.006581 157.8
[M+CH3COO]- 269.022231 182.3
[M+Na-2H]- 230.983046 144.7
[M]+ 210.00783142 144.9
[M]- 210.00892858 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.