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]+ 249.042526 151.2
[M+Na]+ 271.024468 163.5
[M-H]- 247.027974 155.6
[M+NH4]+ 266.069073 169.0
[M+K]+ 286.998408 158.1
[M+H-H2O]+ 231.032510 145.0
[M+HCOO]- 293.033451 168.2
[M+CH3COO]- 307.049101 164.5
[M+Na-2H]- 269.009916 155.7
[M]+ 248.03470142 155.4
[M]- 248.03579858 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.