CID 28909773

57329-17-6

Structural Information

Molecular Formula
C10H7ClO3
SMILES
C1=CC2=C(C=C1Cl)C=C(O2)CC(=O)O
InChI
InChI=1S/C10H7ClO3/c11-7-1-2-9-6(3-7)4-8(14-9)5-10(12)13/h1-4H,5H2,(H,12,13)
InChIKey
NULLDEMRVPOVOV-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-benzofuran-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

210.00838 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.015656 139.1
[M+Na]+ 232.997598 150.7
[M-H]- 209.001104 144.1
[M+NH4]+ 228.042203 160.2
[M+K]+ 248.971538 147.4
[M+H-H2O]+ 193.005640 135.2
[M+HCOO]- 255.006581 158.3
[M+CH3COO]- 269.022231 181.1
[M+Na-2H]- 230.983046 145.9
[M]+ 210.00783142 145.0
[M]- 210.00892858 145.0
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