CID 20212

4228-89-1

Structural Information

Molecular Formula
C8H3Cl2F3N2
SMILES
C1=CC(=C2C(=C1Cl)NC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C8H3Cl2F3N2/c9-3-1-2-4(10)6-5(3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15)
InChIKey
QECRKWYIIQPMPA-UHFFFAOYSA-N
Compound name
4,7-dichloro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.96254 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.969816 143.2
[M+Na]+ 276.951758 157.4
[M-H]- 252.955264 140.4
[M+NH4]+ 271.996363 161.7
[M+K]+ 292.925698 149.8
[M+H-H2O]+ 236.959800 135.6
[M+HCOO]- 298.960741 151.4
[M+CH3COO]- 312.976391 155.5
[M+Na-2H]- 274.937206 148.5
[M]+ 253.96199142 143.1
[M]- 253.96308858 143.1
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