CID 132347071

2138008-94-1

Structural Information

Molecular Formula
C13H14FN3
SMILES
CCN1C(CC2=C1C=C(C=C2)F)C3=NC=CN3
InChI
InChI=1S/C13H14FN3/c1-2-17-11-8-10(14)4-3-9(11)7-12(17)13-15-5-6-16-13/h3-6,8,12H,2,7H2,1H3,(H,15,16)
InChIKey
IWLIKZLTJQBGPW-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-2-(1H-imidazol-2-yl)-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11717 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.12445 151.4
[M+Na]+ 254.10639 161.1
[M-H]- 230.10989 153.1
[M+NH4]+ 249.15099 169.6
[M+K]+ 270.08033 155.8
[M+H-H2O]+ 214.11443 142.4
[M+HCOO]- 276.11537 169.7
[M+CH3COO]- 290.13102 163.2
[M+Na-2H]- 252.09184 153.0
[M]+ 231.11662 149.1
[M]- 231.11772 149.1
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

No patent data available for this compound.