CID 165839724

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

Structural Information

Molecular Formula
C7H7F2NO
SMILES
CN1C=CC=C1C(=O)C(F)F
InChI
InChI=1S/C7H7F2NO/c1-10-4-2-3-5(10)6(11)7(8)9/h2-4,7H,1H3
InChIKey
HCMUBAFMMLVGRD-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04958 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.056856 127.9
[M+Na]+ 182.038798 136.9
[M-H]- 158.042304 128.0
[M+NH4]+ 177.083403 149.2
[M+K]+ 198.012738 135.6
[M+H-H2O]+ 142.046840 120.4
[M+HCOO]- 204.047781 148.9
[M+CH3COO]- 218.063431 177.5
[M+Na-2H]- 180.024246 130.6
[M]+ 159.04903142 125.9
[M]- 159.05012858 125.9
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.