CID 55969

89427-47-4

Structural Information

Molecular Formula
C10H7Cl2F3N2O2
SMILES
COC1=C(C2=C(C(=C1OC)Cl)N=C(N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H7Cl2F3N2O2/c1-18-7-3(11)5-6(4(12)8(7)19-2)17-9(16-5)10(13,14)15/h1-2H3,(H,16,17)
InChIKey
ZOTAAERTGSZERF-UHFFFAOYSA-N
Compound name
4,7-dichloro-5,6-dimethoxy-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.98367 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.99095 158.0
[M+Na]+ 336.97289 172.7
[M-H]- 312.97639 155.8
[M+NH4]+ 332.01749 174.6
[M+K]+ 352.94683 166.0
[M+H-H2O]+ 296.98093 150.5
[M+HCOO]- 358.98187 165.9
[M+CH3COO]- 372.99752 200.3
[M+Na-2H]- 334.95834 161.2
[M]+ 313.98312 162.2
[M]- 313.98422 162.2
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.