CID 1537098

304685-89-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 158.2
[M+Na]+ 288.05618 172.3
[M+NH4]+ 283.10078 166.2
[M+K]+ 304.03012 166.4
[M-H]- 264.05968 160.2
[M+Na-2H]- 286.04163 164.9
[M]+ 265.06641 161.1
[M]- 265.06751 161.1
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

patents stripe