CID 469136

Chembl22503

Structural Information

Molecular Formula
C14H10Cl2FN3
SMILES
C1=CC(=CC=C1CN2C3=CC(=C(C=C3N=C2N)Cl)Cl)F
InChI
InChI=1S/C14H10Cl2FN3/c15-10-5-12-13(6-11(10)16)20(14(18)19-12)7-8-1-3-9(17)4-2-8/h1-6H,7H2,(H2,18,19)
InChIKey
QZBOSCUDQNRBQL-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.0236 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.03088 166.0
[M+Na]+ 332.01282 179.8
[M-H]- 308.01632 169.6
[M+NH4]+ 327.05742 182.5
[M+K]+ 347.98676 171.1
[M+H-H2O]+ 292.02086 157.6
[M+HCOO]- 354.02180 179.0
[M+CH3COO]- 368.03745 178.0
[M+Na-2H]- 329.99827 169.0
[M]+ 309.02305 169.7
[M]- 309.02415 169.7
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.