CID 3006831

1-[2-(4-fluorophenyl)propyl]imidazole

Structural Information

Molecular Formula
C12H13FN2
SMILES
CC(CN1C=CN=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FN2/c1-10(8-15-7-6-14-9-15)11-2-4-12(13)5-3-11/h2-7,9-10H,8H2,1H3
InChIKey
VLPGQKPLQFOSAY-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.10628 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11356 143.5
[M+Na]+ 227.09550 151.7
[M-H]- 203.09900 146.3
[M+NH4]+ 222.14010 161.5
[M+K]+ 243.06944 148.2
[M+H-H2O]+ 187.10354 134.3
[M+HCOO]- 249.10448 164.7
[M+CH3COO]- 263.12013 186.0
[M+Na-2H]- 225.08095 147.6
[M]+ 204.10573 142.4
[M]- 204.10683 142.4
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.