CID 82004390

5,6-dichloro-2-[(2-fluorophenyl)methyl]-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C14H9Cl2FN2
SMILES
C1=CC=C(C(=C1)CC2=NC3=CC(=C(C=C3N2)Cl)Cl)F
InChI
InChI=1S/C14H9Cl2FN2/c15-9-6-12-13(7-10(9)16)19-14(18-12)5-8-3-1-2-4-11(8)17/h1-4,6-7H,5H2,(H,18,19)
InChIKey
UKMVFOORQPCUSM-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0127 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01998 160.4
[M+Na]+ 317.00192 173.8
[M-H]- 293.00542 162.9
[M+NH4]+ 312.04652 177.2
[M+K]+ 332.97586 164.7
[M+H-H2O]+ 277.00996 152.3
[M+HCOO]- 339.01090 171.6
[M+CH3COO]- 353.02655 172.4
[M+Na-2H]- 314.98737 164.3
[M]+ 294.01215 163.5
[M]- 294.01325 163.5
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.