CID 55956

89427-18-9

Structural Information

Molecular Formula
C9H5Cl2F3N2O
SMILES
COC1=C(C=C2C(=C1Cl)N=C(N2)C(F)(F)F)Cl
InChI
InChI=1S/C9H5Cl2F3N2O/c1-17-7-3(10)2-4-6(5(7)11)16-8(15-4)9(12,13)14/h2H,1H3,(H,15,16)
InChIKey
YOGWZFUBEGNQLT-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-methoxy-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.9731 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98038 150.7
[M+Na]+ 306.96232 165.2
[M-H]- 282.96582 148.2
[M+NH4]+ 302.00692 168.3
[M+K]+ 322.93626 158.0
[M+H-H2O]+ 266.97036 143.2
[M+HCOO]- 328.97130 158.8
[M+CH3COO]- 342.98695 194.1
[M+Na-2H]- 304.94777 154.9
[M]+ 283.97255 152.8
[M]- 283.97365 152.8
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.