CID 126974026

2-chloro-1-ethyl-6-fluoro-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C9H8ClFN2
SMILES
CCN1C2=C(C=CC(=C2)F)N=C1Cl
InChI
InChI=1S/C9H8ClFN2/c1-2-13-8-5-6(11)3-4-7(8)12-9(13)10/h3-5H,2H2,1H3
InChIKey
QXKHEFUOWBQEBE-UHFFFAOYSA-N
Compound name
2-chloro-1-ethyl-6-fluorobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03601 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04329 136.3
[M+Na]+ 221.02523 149.8
[M-H]- 197.02873 137.7
[M+NH4]+ 216.06983 157.5
[M+K]+ 236.99917 144.5
[M+H-H2O]+ 181.03327 129.2
[M+HCOO]- 243.03421 154.5
[M+CH3COO]- 257.04986 150.7
[M+Na-2H]- 219.01068 142.7
[M]+ 198.03546 140.1
[M]- 198.03656 140.1
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

No patent data available for this compound.