CID 71299224

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C13H7ClF3N3
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl
InChI
InChI=1S/C13H7ClF3N3/c14-8-5-7(13(15,16)17)6-18-11(8)12-19-9-3-1-2-4-10(9)20-12/h1-6H,(H,19,20)
InChIKey
VUOIENCKNVPLDS-UHFFFAOYSA-N
Compound name
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.02805 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.03533 160.5
[M+Na]+ 320.01727 173.7
[M-H]- 296.02077 160.0
[M+NH4]+ 315.06187 175.1
[M+K]+ 335.99121 165.2
[M+H-H2O]+ 280.02531 149.7
[M+HCOO]- 342.02625 172.1
[M+CH3COO]- 356.04190 171.6
[M+Na-2H]- 318.00272 166.1
[M]+ 297.02750 159.5
[M]- 297.02860 159.5
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.