CID 14838647

5-chloro-1-benzofuran-7-carboxylic acid

Structural Information

Molecular Formula
C9H5ClO3
SMILES
C1=COC2=C(C=C(C=C21)Cl)C(=O)O
InChI
InChI=1S/C9H5ClO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h1-4H,(H,11,12)
InChIKey
QLTJKHWDTGNPLT-UHFFFAOYSA-N
Compound name
5-chloro-1-benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

195.99272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.999996 134.2
[M+Na]+ 218.981938 146.3
[M-H]- 194.985444 139.3
[M+NH4]+ 214.026543 155.8
[M+K]+ 234.955878 143.1
[M+H-H2O]+ 178.989980 130.5
[M+HCOO]- 240.990921 153.7
[M+CH3COO]- 255.006571 178.1
[M+Na-2H]- 216.967386 141.5
[M]+ 195.99217142 139.7
[M]- 195.99326858 139.7
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