CID 71587640

Dk983n4h8x

Structural Information

Molecular Formula
C19H16FNO3
SMILES
C1C2=C(C=CC(=C2)C#N)C(O1)(CCCC(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H16FNO3/c20-16-6-4-15(5-7-16)19(9-1-2-18(22)23)17-8-3-13(11-21)10-14(17)12-24-19/h3-8,10H,1-2,9,12H2,(H,22,23)
InChIKey
FOGQYQBNBJEREZ-UHFFFAOYSA-N
Compound name
4-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.11142 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11870 177.5
[M+Na]+ 348.10064 188.7
[M-H]- 324.10414 181.8
[M+NH4]+ 343.14524 192.6
[M+K]+ 364.07458 181.0
[M+H-H2O]+ 308.10868 163.6
[M+HCOO]- 370.10962 192.5
[M+CH3COO]- 384.12527 215.1
[M+Na-2H]- 346.08609 179.4
[M]+ 325.11087 173.2
[M]- 325.11197 173.2
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

No patent data available for this compound.