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 151.2
[M+Na]+ 271.02447 163.5
[M-H]- 247.02797 155.6
[M+NH4]+ 266.06907 169.0
[M+K]+ 286.99841 158.1
[M+H-H2O]+ 231.03251 145.0
[M+HCOO]- 293.03345 168.2
[M+CH3COO]- 307.04910 164.5
[M+Na-2H]- 269.00992 155.7
[M]+ 248.03470 155.4
[M]- 248.03580 155.4
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.