CID 55943

89427-00-9

Structural Information

Molecular Formula
C8H3ClF3IN2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)Cl)I
InChI
InChI=1S/C8H3ClF3IN2/c9-4-1-3(13)2-5-6(4)15-7(14-5)8(10,11)12/h1-2H,(H,14,15)
InChIKey
NPPLBMXLLSXEID-UHFFFAOYSA-N
Compound name
4-chloro-6-iodo-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.89816 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.90544 140.9
[M+Na]+ 368.88738 147.4
[M-H]- 344.89088 132.1
[M+NH4]+ 363.93198 155.0
[M+K]+ 384.86132 146.8
[M+H-H2O]+ 328.89542 129.7
[M+HCOO]- 390.89636 149.8
[M+CH3COO]- 404.91201 194.4
[M+Na-2H]- 366.87283 135.8
[M]+ 345.89761 137.6
[M]- 345.89871 137.6
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.