CID 55940

89426-97-1

Structural Information

Molecular Formula
C8H3ClF4N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)Cl)F
InChI
InChI=1S/C8H3ClF4N2/c9-4-1-3(10)2-5-6(4)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)
InChIKey
BGXMIJJBIRSJKL-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.9921 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.999376 140.0
[M+Na]+ 260.981318 154.0
[M-H]- 236.984824 136.6
[M+NH4]+ 256.025923 158.8
[M+K]+ 276.955258 147.2
[M+H-H2O]+ 220.989360 131.2
[M+HCOO]- 282.990301 152.3
[M+CH3COO]- 297.005951 186.2
[M+Na-2H]- 258.966766 145.5
[M]+ 237.99155142 137.7
[M]- 237.99264858 137.7
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

patents stripe