CID 74391

1-(3-chloropropoxy)-4-fluorobenzene

Structural Information

Molecular Formula
C9H10ClFO
SMILES
C1=CC(=CC=C1OCCCCl)F
InChI
InChI=1S/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
InChIKey
DFFWYMMOMUTKOI-UHFFFAOYSA-N
Compound name
1-(3-chloropropoxy)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

419
Patents

188.04042 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04770 134.7
[M+Na]+ 211.02964 143.9
[M-H]- 187.03314 136.9
[M+NH4]+ 206.07424 155.5
[M+K]+ 227.00358 140.1
[M+H-H2O]+ 171.03768 129.1
[M+HCOO]- 233.03862 153.9
[M+CH3COO]- 247.05427 181.1
[M+Na-2H]- 209.01509 141.3
[M]+ 188.03987 137.3
[M]- 188.04097 137.3
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