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]+ 188.08815 135.5
[M+Na]+ 210.07009 145.5
[M-H]- 186.07359 136.1
[M+NH4]+ 205.11469 156.4
[M+K]+ 226.04403 143.8
[M+H-H2O]+ 170.07813 128.4
[M+HCOO]- 232.07907 155.8
[M+CH3COO]- 246.09472 185.8
[M+Na-2H]- 208.05554 135.9
[M]+ 187.08032 135.0
[M]- 187.08142 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.