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]+ 160.05686 127.9
[M+Na]+ 182.03880 136.9
[M-H]- 158.04230 128.0
[M+NH4]+ 177.08340 149.2
[M+K]+ 198.01274 135.6
[M+H-H2O]+ 142.04684 120.4
[M+HCOO]- 204.04778 148.9
[M+CH3COO]- 218.06343 177.5
[M+Na-2H]- 180.02425 130.6
[M]+ 159.04903 125.9
[M]- 159.05013 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.