CID 656765

Dcebio

Structural Information

Molecular Formula
C9H8Cl2N2O
SMILES
CCN1C2=CC(=C(C=C2NC1=O)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)
InChIKey
LKHRMULASXZCLG-UHFFFAOYSA-N
Compound name
5,6-dichloro-3-ethyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

94
Patents

230.00137 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00865 143.5
[M+Na]+ 252.99059 157.8
[M-H]- 228.99409 144.6
[M+NH4]+ 248.03519 163.3
[M+K]+ 268.96453 150.8
[M+H-H2O]+ 212.99863 138.4
[M+HCOO]- 274.99957 156.4
[M+CH3COO]- 289.01522 157.1
[M+Na-2H]- 250.97604 148.4
[M]+ 230.00082 148.5
[M]- 230.00192 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe