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]+ 247.02688 150.6
[M+Na]+ 269.00882 163.6
[M-H]- 245.01232 156.3
[M+NH4]+ 264.05342 169.0
[M+K]+ 284.98276 158.5
[M+H-H2O]+ 229.01686 144.1
[M+HCOO]- 291.01780 169.2
[M+CH3COO]- 305.03345 164.6
[M+Na-2H]- 266.99427 155.3
[M]+ 246.01905 155.9
[M]- 246.02015 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.