CID 3281437

2-(1h-benzimidazol-2-yl)-4,6-dichlorophenol

Structural Information

Molecular Formula
C13H8Cl2N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C13H8Cl2N2O/c14-7-5-8(12(18)9(15)6-7)13-16-10-3-1-2-4-11(10)17-13/h1-6,18H,(H,16,17)
InChIKey
WDDJYCGSDUNBHU-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-4,6-dichlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

278.00137 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00865 156.7
[M+Na]+ 300.99059 169.9
[M-H]- 276.99409 159.5
[M+NH4]+ 296.03519 173.4
[M+K]+ 316.96453 161.3
[M+H-H2O]+ 260.99863 150.1
[M+HCOO]- 322.99957 168.0
[M+CH3COO]- 337.01522 168.9
[M+Na-2H]- 298.97604 161.4
[M]+ 278.00082 160.0
[M]- 278.00192 160.0
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