CID 22324117

166599-84-4

Structural Information

Molecular Formula
C9H6O3
SMILES
C1=CC(=C2C=COC2=C1)C(=O)O
InChI
InChI=1S/C9H6O3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5H,(H,10,11)
InChIKey
WFAPIZKLEVLUMX-UHFFFAOYSA-N
Compound name
1-benzofuran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
Patents

162.0317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.038976 127.5
[M+Na]+ 185.020918 137.9
[M-H]- 161.024424 132.5
[M+NH4]+ 180.065523 149.4
[M+K]+ 200.994858 136.7
[M+H-H2O]+ 145.028960 122.9
[M+HCOO]- 207.029901 151.7
[M+CH3COO]- 221.045551 173.1
[M+Na-2H]- 183.006366 136.1
[M]+ 162.03115142 130.6
[M]- 162.03224858 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe