CID 41885

Brn 0478946

Structural Information

Molecular Formula
C13H13FN2O
SMILES
CC1=C(C(=C(N1)C2=CC=C(C=C2)F)N)C(=O)C
InChI
InChI=1S/C13H13FN2O/c1-7-11(8(2)17)12(15)13(16-7)9-3-5-10(14)6-4-9/h3-6,16H,15H2,1-2H3
InChIKey
SWLGHYJGPQLDBS-UHFFFAOYSA-N
Compound name
1-[4-amino-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

232.1012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10848 153.0
[M+Na]+ 255.09042 164.4
[M+NH4]+ 250.13502 159.8
[M+K]+ 271.06436 160.5
[M-H]- 231.09392 154.5
[M+Na-2H]- 253.07587 158.4
[M]+ 232.10065 154.8
[M]- 232.10175 154.8
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