CID 55937

89426-93-7

Structural Information

Molecular Formula
C8H3F5N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)F)F
InChI
InChI=1S/C8H3F5N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
InChIKey
OTBZYJFQZSYALD-UHFFFAOYSA-N
Compound name
4,6-difluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02892 137.5
[M+Na]+ 245.01086 150.9
[M-H]- 221.01436 133.1
[M+NH4]+ 240.05546 156.0
[M+K]+ 260.98480 145.3
[M+H-H2O]+ 205.01890 127.4
[M+HCOO]- 267.01984 153.4
[M+CH3COO]- 281.03549 185.4
[M+Na-2H]- 242.99631 142.9
[M]+ 222.02109 132.0
[M]- 222.02219 132.0
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.