CID 3065144

Furfuryl alcohol, 5-(5-chloro-2-benzimidazolyl)-

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)C3=CC=C(O3)CO
InChI
InChI=1S/C12H9ClN2O2/c13-7-1-3-9-10(5-7)15-12(14-9)11-4-2-8(6-16)17-11/h1-5,16H,6H2,(H,14,15)
InChIKey
UJNBHXNKYCPNPV-UHFFFAOYSA-N
Compound name
[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03525 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 150.2
[M+Na]+ 271.02447 165.3
[M+NH4]+ 266.06907 158.6
[M+K]+ 286.99841 162.2
[M-H]- 247.02797 153.7
[M+Na-2H]- 269.00992 156.8
[M]+ 248.03470 153.7
[M]- 248.03580 153.7
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

No patent data available for this compound.