CID 82408690

1368370-64-2

Structural Information

Molecular Formula
C8H5ClN2O
SMILES
C1=CC2=C(C(=C1C=O)Cl)N=CN2
InChI
InChI=1S/C8H5ClN2O/c9-7-5(3-12)1-2-6-8(7)11-4-10-6/h1-4H,(H,10,11)
InChIKey
LSETVCDHIWSFEY-UHFFFAOYSA-N
Compound name
4-chloro-1H-benzimidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.00903 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01631 132.1
[M+Na]+ 202.99825 144.9
[M-H]- 179.00175 133.5
[M+NH4]+ 198.04285 153.0
[M+K]+ 218.97219 139.4
[M+H-H2O]+ 163.00629 126.3
[M+HCOO]- 225.00723 150.7
[M+CH3COO]- 239.02288 146.5
[M+Na-2H]- 200.98370 140.0
[M]+ 180.00848 135.2
[M]- 180.00958 135.2
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.