CID 2737448

1-fluoro-4-pentylbenzene

Structural Information

Molecular Formula
C11H15F
SMILES
CCCCCC1=CC=C(C=C1)F
InChI
InChI=1S/C11H15F/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
InChIKey
UUAAALCIWZDBDT-UHFFFAOYSA-N
Compound name
1-fluoro-4-pentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

166.11578 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12306 134.9
[M+Na]+ 189.10500 142.5
[M-H]- 165.10850 137.1
[M+NH4]+ 184.14960 155.9
[M+K]+ 205.07894 139.8
[M+H-H2O]+ 149.11304 128.5
[M+HCOO]- 211.11398 157.8
[M+CH3COO]- 225.12963 181.4
[M+Na-2H]- 187.09045 141.0
[M]+ 166.11523 134.8
[M]- 166.11633 134.8
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

patents stripe