CID 177802009

2,2-difluoro-1-(1,2,5-trimethyl-1h-pyrrol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C9H11F2NO
SMILES
CC1=CC(=C(N1C)C)C(=O)C(F)F
InChI
InChI=1S/C9H11F2NO/c1-5-4-7(6(2)12(5)3)8(13)9(10)11/h4,9H,1-3H3
InChIKey
UXKWAHBWQOUGRE-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08087 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.088146 135.5
[M+Na]+ 210.070088 145.5
[M-H]- 186.073594 136.1
[M+NH4]+ 205.114693 156.4
[M+K]+ 226.044028 143.8
[M+H-H2O]+ 170.078130 128.4
[M+HCOO]- 232.079071 155.8
[M+CH3COO]- 246.094721 185.8
[M+Na-2H]- 208.055536 135.9
[M]+ 187.08032142 135.0
[M]- 187.08141858 135.0
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.