CID 82403740

1-[1-methyl-4-(trifluoromethyl)-1h-pyrrol-2-yl]ethan-1-one

Structural Information

Molecular Formula
C8H8F3NO
SMILES
CC(=O)C1=CC(=CN1C)C(F)(F)F
InChI
InChI=1S/C8H8F3NO/c1-5(13)7-3-6(4-12(7)2)8(9,10)11/h3-4H,1-2H3
InChIKey
JGAQRRCBAWYRPU-UHFFFAOYSA-N
Compound name
1-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0558 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 145.3
[M+Na]+ 214.04502 153.3
[M+NH4]+ 209.08962 150.3
[M+K]+ 230.01896 150.6
[M-H]- 190.04852 140.7
[M+Na-2H]- 212.03047 147.4
[M]+ 191.05525 144.7
[M]- 191.05635 144.7
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.