CID 2517715

2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1h-pyrrol-3-yl}ethan-1-one

Structural Information

Molecular Formula
C15H15ClFNO
SMILES
CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)CCl
InChI
InChI=1S/C15H15ClFNO/c1-10-7-14(15(19)8-16)11(2)18(10)9-12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3
InChIKey
WYOAGEYXJGUMDR-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0826 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08988 161.1
[M+Na]+ 302.07182 171.7
[M-H]- 278.07532 165.7
[M+NH4]+ 297.11642 179.0
[M+K]+ 318.04576 165.7
[M+H-H2O]+ 262.07986 153.5
[M+HCOO]- 324.08080 178.3
[M+CH3COO]- 338.09645 200.5
[M+Na-2H]- 300.05727 160.9
[M]+ 279.08205 164.5
[M]- 279.08315 164.5
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.