CID 198651

Benzimidazole, 5-methoxy-4,6,7-trichloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H4Cl3F3N2O
SMILES
COC1=C(C2=C(C(=C1Cl)Cl)NC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C9H4Cl3F3N2O/c1-18-7-3(11)2(10)5-6(4(7)12)17-8(16-5)9(13,14)15/h1H3,(H,16,17)
InChIKey
YXXSITTZKJSJDH-UHFFFAOYSA-N
Compound name
4,6,7-trichloro-5-methoxy-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.93414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.94142 156.0
[M+Na]+ 340.92336 170.9
[M-H]- 316.92686 152.6
[M+NH4]+ 335.96796 172.4
[M+K]+ 356.89730 163.2
[M+H-H2O]+ 300.93140 149.0
[M+HCOO]- 362.93234 158.6
[M+CH3COO]- 376.94799 200.4
[M+Na-2H]- 338.90881 158.4
[M]+ 317.93359 158.4
[M]- 317.93469 158.4
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.