CID 751538

Naphtho[2,1-b]furan-2-carboxylic acid

Structural Information

Molecular Formula
C13H8O3
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)O
InChI
InChI=1S/C13H8O3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H,(H,14,15)
InChIKey
QVRZMUFOHNANGY-UHFFFAOYSA-N
Compound name
benzo[e][1]benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

212.04735 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05463 140.8
[M+Na]+ 235.03657 151.7
[M-H]- 211.04007 146.8
[M+NH4]+ 230.08117 161.7
[M+K]+ 251.01051 148.9
[M+H-H2O]+ 195.04461 135.7
[M+HCOO]- 257.04555 163.4
[M+CH3COO]- 271.06120 155.4
[M+Na-2H]- 233.02202 149.3
[M]+ 212.04680 144.5
[M]- 212.04790 144.5
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