CID 2737505

405-64-1

Structural Information

Molecular Formula
C9H11F
SMILES
CCCC1=CC=C(C=C1)F
InChI
InChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChIKey
LUJGLFMPEZIRRP-UHFFFAOYSA-N
Compound name
1-fluoro-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1340
Patents

138.08447 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09175 125.4
[M+Na]+ 161.07369 133.9
[M-H]- 137.07719 128.0
[M+NH4]+ 156.11829 147.5
[M+K]+ 177.04763 131.7
[M+H-H2O]+ 121.08173 119.4
[M+HCOO]- 183.08267 149.0
[M+CH3COO]- 197.09832 175.3
[M+Na-2H]- 159.05914 132.6
[M]+ 138.08392 124.6
[M]- 138.08502 124.6
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