CID 198999

Clobenfurol hemisuccinate

Structural Information

Molecular Formula
C19H15ClO5
SMILES
C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)Cl)OC(=O)CCC(=O)O
InChI
InChI=1S/C19H15ClO5/c20-14-7-5-12(6-8-14)19(25-18(23)10-9-17(21)22)16-11-13-3-1-2-4-15(13)24-16/h1-8,11,19H,9-10H2,(H,21,22)
InChIKey
XIRZHWFBGLWVFS-UHFFFAOYSA-N
Compound name
4-[1-benzofuran-2-yl-(4-chlorophenyl)methoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06808 178.8
[M+Na]+ 381.05002 192.6
[M+NH4]+ 376.09462 185.7
[M+K]+ 397.02396 188.3
[M-H]- 357.05352 182.6
[M+Na-2H]- 379.03547 184.7
[M]+ 358.06025 182.1
[M]- 358.06135 182.1
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

No patent data available for this compound.