CID 4416956

Phenol, 2-(1h-benzimidazol-2-yl)-3,4,6-trichloro-

Structural Information

Molecular Formula
C13H7Cl3N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(C(=CC(=C3Cl)Cl)Cl)O
InChI
InChI=1S/C13H7Cl3N2O/c14-6-5-7(15)12(19)10(11(6)16)13-17-8-3-1-2-4-9(8)18-13/h1-5,19H,(H,17,18)
InChIKey
ZNVNXYUDFRYVSK-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-3,4,6-trichlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.9624 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.96968 162.6
[M+Na]+ 334.95162 176.4
[M-H]- 310.95512 164.3
[M+NH4]+ 329.99622 178.1
[M+K]+ 350.92556 167.5
[M+H-H2O]+ 294.95966 156.5
[M+HCOO]- 356.96060 168.3
[M+CH3COO]- 370.97625 173.8
[M+Na-2H]- 332.93707 165.4
[M]+ 311.96185 166.4
[M]- 311.96295 166.4
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

patents stripe