CID 705254

315710-85-1

Structural Information

Molecular Formula
C14H13ClFNO
SMILES
CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CCl
InChI
InChI=1S/C14H13ClFNO/c1-9-6-13(14(18)8-15)10(2)17(9)12-5-3-4-11(16)7-12/h3-7H,8H2,1-2H3
InChIKey
UMSNWZWJTFGFSJ-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.06696 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07424 156.3
[M+Na]+ 288.05618 167.4
[M-H]- 264.05968 161.2
[M+NH4]+ 283.10078 174.8
[M+K]+ 304.03012 161.6
[M+H-H2O]+ 248.06422 149.0
[M+HCOO]- 310.06516 173.9
[M+CH3COO]- 324.08081 197.6
[M+Na-2H]- 286.04163 156.7
[M]+ 265.06641 159.4
[M]- 265.06751 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.