CID 77133

3584-65-4

Structural Information

Molecular Formula
C8H5Cl3N2
SMILES
C1=CC=C2C(=C1)NC(=N2)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H5Cl3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)
InChIKey
ZVFSYTFFWGYEMM-UHFFFAOYSA-N
Compound name
2-(trichloromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

407
Patents

233.95183 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95911 145.5
[M+Na]+ 256.94105 157.4
[M-H]- 232.94455 144.7
[M+NH4]+ 251.98565 164.1
[M+K]+ 272.91499 150.4
[M+H-H2O]+ 216.94909 140.1
[M+HCOO]- 278.95003 151.0
[M+CH3COO]- 292.96568 157.3
[M+Na-2H]- 254.92650 152.2
[M]+ 233.95128 147.5
[M]- 233.95238 147.5
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