CID 9115244

1-[1-(difluoromethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-one

Structural Information

Molecular Formula
C10H8F2N2O
SMILES
CC(=O)C1=NC2=CC=CC=C2N1C(F)F
InChI
InChI=1S/C10H8F2N2O/c1-6(15)9-13-7-4-2-3-5-8(7)14(9)10(11)12/h2-5,10H,1H3
InChIKey
WAXPXZUCEYGWHK-UHFFFAOYSA-N
Compound name
1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

210.06047 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06775 142.9
[M+Na]+ 233.04969 154.2
[M+NH4]+ 228.09429 149.3
[M+K]+ 249.02363 150.6
[M-H]- 209.05319 140.7
[M+Na-2H]- 231.03514 147.4
[M]+ 210.05992 143.6
[M]- 210.06102 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe