CID 165661511

2,2-difluoro-1-(5-methyl-1h-imidazol-2-yl)ethan-1-one

Structural Information

Molecular Formula
C6H6F2N2O
SMILES
CC1=CN=C(N1)C(=O)C(F)F
InChI
InChI=1S/C6H6F2N2O/c1-3-2-9-6(10-3)4(11)5(7)8/h2,5H,1H3,(H,9,10)
InChIKey
XGZZFKXIDZXTEK-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(5-methyl-1H-imidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.04482 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.052096 128.2
[M+Na]+ 183.034038 137.1
[M-H]- 159.037544 125.6
[M+NH4]+ 178.078643 147.3
[M+K]+ 199.007978 135.1
[M+H-H2O]+ 143.042080 120.0
[M+HCOO]- 205.043021 146.7
[M+CH3COO]- 219.058671 174.5
[M+Na-2H]- 181.019486 130.8
[M]+ 160.04427142 124.4
[M]- 160.04536858 124.4
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.