CID 136195525

4-(4,5-dichloro-1h-benzimidazol-2-yl)phenol

Structural Information

Molecular Formula
C13H8Cl2N2O
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=CC(=C3Cl)Cl)O
InChI
InChI=1S/C13H8Cl2N2O/c14-9-5-6-10-12(11(9)15)17-13(16-10)7-1-3-8(18)4-2-7/h1-6,18H,(H,16,17)
InChIKey
JLOYMPAJUNUFOV-UHFFFAOYSA-N
Compound name
4-(4,5-dichloro-1H-benzimidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.