CID 469437

2,4,6-trichloro-1h-benzimidazole

Structural Information

Molecular Formula
C7H3Cl3N2
SMILES
C1=C(C=C(C2=C1NC(=N2)Cl)Cl)Cl
InChI
InChI=1S/C7H3Cl3N2/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H,11,12)
InChIKey
BOSXUUUAOBZQGK-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

219.93619 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94347 138.6
[M+Na]+ 242.92541 152.2
[M-H]- 218.92891 138.0
[M+NH4]+ 237.97001 158.1
[M+K]+ 258.89935 145.1
[M+H-H2O]+ 202.93345 133.6
[M+HCOO]- 264.93439 146.0
[M+CH3COO]- 278.95004 151.3
[M+Na-2H]- 240.91086 143.9
[M]+ 219.93564 141.4
[M]- 219.93674 141.4
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