CID 5463389

63052-08-4

Structural Information

Molecular Formula
C16H10ClN3
SMILES
C1=CC=C(C(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Cl
InChI
InChI=1S/C16H10ClN3/c17-13-6-2-1-5-11(13)9-12(10-18)16-19-14-7-3-4-8-15(14)20-16/h1-9H,(H,19,20)/b12-9+
InChIKey
BPSIMQTUJJIVOO-FMIVXFBMSA-N
Compound name
(E)-2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

279.05634 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06362 168.8
[M+Na]+ 302.04556 181.3
[M-H]- 278.04906 170.6
[M+NH4]+ 297.09016 182.9
[M+K]+ 318.01950 170.5
[M+H-H2O]+ 262.05360 153.7
[M+HCOO]- 324.05454 181.3
[M+CH3COO]- 338.07019 178.3
[M+Na-2H]- 300.03101 172.1
[M]+ 279.05579 164.4
[M]- 279.05689 164.4
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

No patent data available for this compound.