CID 3065145

2-furaldehyde, 5-(5-chloro-2-benzimidazolyl)-

Structural Information

Molecular Formula
C12H7ClN2O2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)C3=CC=C(O3)C=O
InChI
InChI=1S/C12H7ClN2O2/c13-7-1-3-9-10(5-7)15-12(14-9)11-4-2-8(6-16)17-11/h1-6H,(H,14,15)
InChIKey
JFFBGHFFVBSIAL-UHFFFAOYSA-N
Compound name
5-(6-chloro-1H-benzimidazol-2-yl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0196 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.026876 150.6
[M+Na]+ 269.008818 163.6
[M-H]- 245.012324 156.3
[M+NH4]+ 264.053423 169.0
[M+K]+ 284.982758 158.5
[M+H-H2O]+ 229.016860 144.1
[M+HCOO]- 291.017801 169.2
[M+CH3COO]- 305.033451 164.6
[M+Na-2H]- 266.994266 155.3
[M]+ 246.01905142 155.9
[M]- 246.02014858 155.9
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.